3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[(1-cyclohexyltetrazol-5-yl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C17H22N6O3S/c1-12-11-14(23(25)26)7-8-15(12)18-16(24)9-10-27-17-19-20-21-22(17)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,18,24)