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

Systemtic Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 3-[[(5-acetamido-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 3-[[(5-acetamido-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(=O)NC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H23N5O5S/c1-12(27)22-20-24-21(26-25-20)32-11-13-6-5-7-14(8-13)19(28)23-15-9-16(29-2)18(31-4)17(10-15)30-3/h5-10H,11H2,1-4H3,(H,23,28)(H2,22,24,25,26,27)