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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C17H15ClN6O4S MolecularWeight: 434.8568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C17H15ClN6O4S/c1-9-6-13(14(28-3)8-12(9)18)19-16(25)11-7-10(24(26)27)4-5-15(11)29-17-20-21-22-23(17)2/h4-8H,1-3H3,(H,19,25)