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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c28-20(23-17-11-13-19(14-12-17)27(29)30)15-31-22-25-24-21(16-7-3-1-4-8-16)26(22)18-9-5-2-6-10-18/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,23,28)