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

Systemtic Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-2-31-22-15-13-20(14-16-22)26-24(30)18-32-25-28-27-23(17-19-9-5-3-6-10-19)29(25)21-11-7-4-8-12-21/h3,5-6,9-10,13-16,21H,2,4,7-8,11-12,17-18H2,1H3,(H,26,30)