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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(1-cyclopropyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(1-cyclopropyltetrazol-5-yl)thio]propionamide Formula: C13H13ClN6O3S MolecularWeight: 368.79872

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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=NN2C3CC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN=NN2C3CC3

InChI

InChI=1S/C13H13ClN6O3S/c1-7(24-13-16-17-18-19(13)8-2-3-8)12(21)15-11-5-4-9(20(22)23)6-10(11)14/h4-8H,2-3H2,1H3,(H,15,21)