2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20N4O2S/c1-3-16(18(24)20-14-7-5-4-6-8-14)26-19-21-17(22-23-19)13-9-11-15(25-2)12-10-13/h4-12,16H,3H2,1-2H3,(H,20,24)(H,21,22,23)