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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

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