1-[4-ethoxy-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S2/c1-3-22-14-7-6-12(11(2)21)9-13(14)10-24-17-18-16(19-20-17)15-5-4-8-23-15/h4-9H,3,10H2,1-2H3,(H,18,19,20)