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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(1-cyclohexyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(1-cyclohexyltetrazol-5-yl)thio]propionamide Formula: C16H19ClN6O3S MolecularWeight: 410.87846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN=NN2C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C16H19ClN6O3S/c1-10(15(24)18-14-8-7-12(23(25)26)9-13(14)17)27-16-19-20-21-22(16)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,18,24)