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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H16N6O3S/c1-12-7-8-14(23(25)26)11-15(12)18-16(24)9-10-27-17-19-20-21-22(17)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,24)