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

Systemtic Name: 1-[3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C17H18N4O2S2/c1-3-23-14-7-6-12(11(2)22)9-13(14)10-25-17-20-19-16(21(17)18)15-5-4-8-24-15/h4-9H,3,10,18H2,1-2H3