N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)OC

InChI

InChI=1S/C17H17N5O3S/c1-24-13-4-3-12(9-14(13)25-2)19-15(23)10-26-17-20-16(21-22-17)11-5-7-18-8-6-11/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)