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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-[(4-methoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-[(4-methoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: 5-nitro-N-p-anisyl-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O4S/c1-26-13-5-2-11(3-6-13)9-18-16(23)14-8-12(22(24)25)4-7-15(14)27-17-19-10-20-21-17/h2-8,10H,9H2,1H3,(H,18,23)(H,19,20,21)