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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-[(1-methyltetrazol-5-yl)thio]-3-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=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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