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

Systemtic Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C)C3CC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C17H21N3O2S/c1-4-22-15-8-7-13(11(2)21)9-14(15)10-23-17-19-18-16(20(17)3)12-5-6-12/h7-9,12H,4-6,10H2,1-3H3