3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]benzamide IUPAC Name: 3-nitro-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(1-isopropyltetrazol-5-yl)thio]methyl]-3-nitro-benzamide Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O3S/c1-7(2)17-12(14-15-16-17)22-6-9-4-3-8(11(13)19)5-10(9)18(20)21/h3-5,7H,6H2,1-2H3,(H2,13,19)