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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C16H13N3O3S2/c1-19-15(14-3-2-6-23-14)17-18-16(19)24-8-11(20)10-4-5-12-13(7-10)22-9-21-12/h2-7H,8-9H2,1H3