N-cyclohexyl-2-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]acetamide IUPAC Name: 2-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-cyclohexylacetamide Traditional Name: 2-[3-(benzylthio)-1,2,4-triazol-1-yl]-N-cyclohexyl-acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C=NC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C=NC(=N2)SCC3=CC=CC=C3

InChI

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