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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H14ClN5O4S MolecularWeight: 419.84216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O4S/c1-22-9-19-21-17(22)28-15-6-3-10(7-13(15)23(25)26)16(24)20-12-8-11(18)4-5-14(12)27-2/h3-9H,1-2H3,(H,20,24)