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

Systemtic Name: N-(3-ethanoylphenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-(3-acetylphenyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: N-(3-acetylphenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(3-acetylphenyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(3-acetylphenyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2S/c1-3-24(26(33)28-22-14-10-13-21(18-22)19(2)32)34-27-30-29-25(17-20-11-6-4-7-12-20)31(27)23-15-8-5-9-16-23/h4-16,18,24H,3,17H2,1-2H3,(H,28,33)