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

Systemtic Name: 1-[4-methoxy-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[5-(2-thenyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S2/c1-11(21)12-5-6-15(22-2)13(8-12)10-24-17-18-16(19-20-17)9-14-4-3-7-23-14/h3-8H,9-10H2,1-2H3,(H,18,19,20)