2-[[5-[2-azanyl-3-cyano-5-oxidanylidene-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2,4,5-tris(chloranyl)phenyl]ethanamide

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-5-oxidanylidene-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2,4,5-tris(chloranyl)phenyl]ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-[(E)-styryl]-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4,5-trichlorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-[(E)-styryl]-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4,5-trichlorophenyl)acetamide Formula: C28H21Cl3N6O2S2 MolecularWeight: 643.99434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl)N)C#N)C=CC5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl)N)C#N)/C=C/C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C28H21Cl3N6O2S2/c29-18-11-20(31)21(12-19(18)30)34-24(39)14-40-28-36-35-27(41-28)37-22-7-4-8-23(38)25(22)16(17(13-32)26(37)33)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-12,16H,4,7-8,14,33H2,(H,34,39)/b10-9+