2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=NN2C3CCCCC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=NN2C3CCCCC3)C

InChI

InChI=1S/C18H24N6O3S/c1-11-9-10-15(24(26)27)16(12(11)2)19-17(25)13(3)28-18-20-21-22-23(18)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3,(H,19,25)