2-(4-methylphenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylsulfanyl)butanamide CAS Name: 2-[(4-methylphenyl)thio]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylthio)butyramide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=C(C=C3)C

InChI

InChI=1S/C19H18N4O3S2/c1-3-16(27-15-9-7-12(2)8-10-15)17(24)20-19-22-21-18(28-19)13-5-4-6-14(11-13)23(25)26/h4-11,16H,3H2,1-2H3,(H,20,22,24)