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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide Openeye Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide CAS Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylbutanamide IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylbutanamide Traditional Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-butyramide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-33-24-16-14-23(15-17-24)31-26(22-11-6-3-7-12-22)29-30-27(31)34-20-8-13-25(32)28-19-18-21-9-4-2-5-10-21/h2-7,9-12,14-17H,8,13,18-20H2,1H3,(H,28,32)