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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

InChI

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