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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O6S/c1-23-10-20-22-19(23)31-16-6-5-11(7-13(16)24(26)27)18(25)21-12-8-14(28-2)17(30-4)15(9-12)29-3/h5-10H,1-4H3,(H,21,25)