2-azanyl-4-(2,4-dichlorophenyl)-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2,4-dichlorophenyl)-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(2,4-dichlorophenyl)-5-oxo-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(2,4-dichlorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H19Cl2N5OS2 MolecularWeight: 540.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=C(C=C(C=C5)Cl)Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=C(C=C(C=C5)Cl)Cl)C(=O)C1

InChI

InChI=1S/C25H19Cl2N5OS2/c26-15-9-10-16(18(27)11-15)21-17(12-28)23(29)32(19-7-4-8-20(33)22(19)21)24-30-31-25(35-24)34-13-14-5-2-1-3-6-14/h1-3,5-6,9-11,21H,4,7-8,13,29H2