1-(4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)14(20)10-23-16-17-15(18-19-16)9-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,18,19)