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

Systemtic Name: 1-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-methoxy-phenyl]ethanone Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C15H17N3O2S/c1-9(19)11-5-6-13(20-2)12(7-11)8-21-15-16-14(17-18-15)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,16,17,18)