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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H16ClN5O4S MolecularWeight: 433.86874

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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=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O4S/c1-10-6-13(15(28-3)8-12(10)19)21-17(25)11-4-5-16(14(7-11)24(26)27)29-18-22-20-9-23(18)2/h4-9H,1-3H3,(H,21,25)