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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3S/c1-21-17(12-5-3-2-4-6-12)19-20-18(21)25-10-14(22)13-7-8-15-16(9-13)24-11-23-15/h2-9H,10-11H2,1H3