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

Systemtic Name: 1-[3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C16H16N4O2S2/c1-10(21)11-5-6-13(22-2)12(8-11)9-24-16-19-18-15(20(16)17)14-4-3-7-23-14/h3-8H,9,17H2,1-2H3