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

Systemtic Name: N,N-diethyl-3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-benzenesulfonamide Formula: C14H20N6O4S2 MolecularWeight: 400.4764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O4S2/c1-5-18(6-2)26(23,24)11-7-8-13(12(9-11)20(21)22)25-14-15-16-17-19(14)10(3)4/h7-10H,5-6H2,1-4H3