N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4)OCO2

InChI

InChI=1S/C18H15N5O4S/c1-10(24)12-6-14-15(27-9-26-14)7-13(12)20-16(25)8-28-18-21-17(22-23-18)11-2-4-19-5-3-11/h2-7H,8-9H2,1H3,(H,20,25)(H,21,22,23)