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

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(1-methyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(1-methyltetrazol-5-yl)thio]acetamide Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=NN2C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=NN2C

InChI

InChI=1S/C12H14N6O3S/c1-7-4-9(10(18(20)21)5-8(7)2)13-11(19)6-22-12-14-15-16-17(12)3/h4-5H,6H2,1-3H3,(H,13,19)