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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C19H21N5O4S/c1-26-14-8-13(9-15(27-2)16(14)28-3)21-17(25)12-6-4-5-11(7-12)10-29-19-22-18(20)23-24-19/h4-9H,10H2,1-3H3,(H,21,25)(H3,20,22,23,24)