N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: 5-nitro-2-(1H-1,2,4-triazol-5-ylthio)-N-veratryl-benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3)OC

InChI

InChI=1S/C18H17N5O5S/c1-27-14-5-3-11(7-15(14)28-2)9-19-17(24)13-8-12(23(25)26)4-6-16(13)29-18-20-10-21-22-18/h3-8,10H,9H2,1-2H3,(H,19,24)(H,20,21,22)