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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O5S/c1-23-9-20-22-18(23)30-16-5-4-10(6-13(16)24(26)27)17(25)21-12-8-14(28-2)11(19)7-15(12)29-3/h4-9H,1-3H3,(H,21,25)