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

Systemtic Name: N-cyclohexyl-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c22-16(18-14-9-5-2-6-10-14)12-23-17-19-15(20-21-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,22)(H,19,20,21)