N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O3S/c1-12(17(23)20-13-7-8-15-16(9-13)25-11-24-15)26-18-19-10-22(21-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)