3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[(2-methoxyphenyl)methyl]benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-o-anisyl-benzamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C18H19N5O2S/c1-25-15-8-3-2-6-14(15)10-20-16(24)13-7-4-5-12(9-13)11-26-18-21-17(19)22-23-18/h2-9H,10-11H2,1H3,(H,20,24)(H3,19,21,22,23)