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

Systemtic Name: 1-(4-ethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-ethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-ethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-ethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H15N3OS2/c1-2-11-5-7-12(8-6-11)13(20)10-22-16-17-15(18-19-16)14-4-3-9-21-14/h3-9H,2,10H2,1H3,(H,17,18,19)