3-(4-methylphenyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)thiophene-2-carboxamide CAS Name: 3-(4-methylphenyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)thiophene-2-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)thiophene-2-carboxamide Formula: C21H17N3OS3 MolecularWeight: 423.57418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3OS3/c1-14-7-9-16(10-8-14)17-11-12-26-18(17)19(25)22-20-23-24-21(28-20)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23,25)