N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-keto-1H-quinoline-4-carboxamide Formula: C20H13N5O2S2 MolecularWeight: 419.47952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H13N5O2S2/c21-10-12-5-7-13(8-6-12)11-28-20-25-24-19(29-20)23-18(27)15-9-17(26)22-16-4-2-1-3-14(15)16/h1-9H,11H2,(H,22,26)(H,23,24,27)