2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(diphenylmethyl)propanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(diphenylmethyl)propanamide Openeye Name: N-benzhydryl-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(diphenylmethyl)propanamide IUPAC Name: N-benzhydryl-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-benzhydryl-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H28N4OS/c1-20(27(33)29-25(22-13-7-3-8-14-22)23-15-9-4-10-16-23)34-28-31-30-26(24-17-18-24)32(28)19-21-11-5-2-6-12-21/h2-16,20,24-25H,17-19H2,1H3,(H,29,33)