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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(1-methyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[(1-methyltetrazol-5-yl)thio]propionamide Formula: C12H14N6O4S MolecularWeight: 338.34236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C

InChI

InChI=1S/C12H14N6O4S/c1-7(23-12-14-15-16-17(12)2)11(19)13-9-6-8(18(20)21)4-5-10(9)22-3/h4-7H,1-3H3,(H,13,19)