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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]ethanamide Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]acetamide CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-[(4-nitroanilino)-oxomethyl]acetamide IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]acetamide Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-N-[(4-nitrophenyl)carbamoyl]acetamide Formula: C16H19N7O4S MolecularWeight: 405.43156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O4S/c24-14(18-15(25)17-11-6-8-13(9-7-11)23(26)27)10-28-16-19-20-21-22(16)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,24,25)