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

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-4-carboxamide CAS Name: N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-1H-quinoline-4-carboxamide Formula: C20H16N4O2S2 MolecularWeight: 408.49664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C20H16N4O2S2/c1-12-6-8-13(9-7-12)11-27-20-24-23-19(28-20)22-18(26)15-10-17(25)21-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,21,25)(H,22,23,26)