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

Systemtic Name: N-methyl-3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide Openeye Name: 4-(1-isopropyltetrazol-5-yl)sulfanyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylbenzenesulfonamide Traditional Name: 4-[(1-isopropyltetrazol-5-yl)thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C11H14N6O4S2 MolecularWeight: 358.39666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C11H14N6O4S2/c1-7(2)16-11(13-14-15-16)22-10-5-4-8(23(20,21)12-3)6-9(10)17(18)19/h4-7,12H,1-3H3