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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-N-(4-propan-2-ylphenyl)benzamide Openeye Name: N-(4-isopropylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitro-N-(4-propan-2-ylphenyl)benzamide IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-(4-propan-2-ylphenyl)benzamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-N-p-cumenyl-benzamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3S/c1-11(2)12-4-6-13(7-5-12)19-17(25)15-10-14(24(26)27)8-9-16(15)28-18-20-21-22-23(18)3/h4-11H,1-3H3,(H,19,25)