N-[5-(7-chloranylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[5-(7-chloranylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-but-2-enamide Openeye Name: N-[5-[(7-chloro-4-quinolyl)sulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-but-2-enamide CAS Name: N-[5-[(7-chloro-4-quinolinyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-2-butenamide IUPAC Name: N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbut-2-enamide Traditional Name: N-[5-[(7-chloro-4-quinolyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-but-2-enamide Formula: C16H13ClN4OS2 MolecularWeight: 376.88362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=NN=C(S1)SC2=C3C=CC(=CC3=NC=C2)Cl)C

Isomeric SMILES

CC(=CC(=O)NC1=NN=C(S1)SC2=C3C=CC(=CC3=NC=C2)Cl)C

InChI

InChI=1S/C16H13ClN4OS2/c1-9(2)7-14(22)19-15-20-21-16(24-15)23-13-5-6-18-12-8-10(17)3-4-11(12)13/h3-8H,1-2H3,(H,19,20,22)