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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C16H13ClN6O4S MolecularWeight: 420.83022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C16H13ClN6O4S/c1-22-16(19-20-21-22)28-14-6-4-10(23(25)26)8-11(14)15(24)18-9-3-5-13(27-2)12(17)7-9/h3-8H,1-2H3,(H,18,24)