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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

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