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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-benzyl-4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-32-23-16-14-22(15-17-23)30-25(21-11-6-3-7-12-21)28-29-26(30)33-18-8-13-24(31)27-19-20-9-4-2-5-10-20/h2-7,9-12,14-17H,8,13,18-19H2,1H3,(H,27,31)