N-(4-butan-2-ylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-N-(4-sec-butylphenyl)benzamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C19H20N6O3S/c1-4-12(2)13-5-7-14(8-6-13)20-18(26)16-11-15(25(27)28)9-10-17(16)29-19-21-22-23-24(19)3/h5-12H,4H2,1-3H3,(H,20,26)