N-(diphenylmethyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-benzhydryl-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(diphenylmethyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzhydryl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C31H29N5OS MolecularWeight: 519.65986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C31H29N5OS/c1-22(2)26-17-9-10-18-27(26)36-30(25-16-11-19-32-20-25)34-35-31(36)38-21-28(37)33-29(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-20,22,29H,21H2,1-2H3,(H,33,37)