2-[[5-(4-aminophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-(4-aminophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(4-aminophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)N

InChI

InChI=1S/C23H27N5OS/c24-19-13-11-18(12-14-19)22-26-27-23(28(22)15-17-7-3-1-4-8-17)30-16-21(29)25-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-16,24H2,(H,25,29)