N-(5-tert-butyl-2-methoxy-phenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4S/c1-20(2,3)13-7-8-16(30-5)14(11-13)21-18(27)12-6-9-17(15(10-12)26(28)29)31-19-22-23-24-25(19)4/h6-11H,1-5H3,(H,21,27)