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

Systemtic Name: N-cyclohexyl-2-[[5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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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+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3S/c29-21(24-19-9-5-2-6-10-19)16-32-23-26-25-22(18-11-13-20(14-12-18)28(30)31)27(23)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-16H2,(H,24,29)