1-(1,3-benzodioxol-5-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N3O3S/c1-8(2)13-15-14(17-16-13)21-6-10(18)9-3-4-11-12(5-9)20-7-19-11/h3-5,8H,6-7H2,1-2H3,(H,15,16,17)