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

Systemtic Name: 1-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-3-27-20-12-11-17(15(2)26)13-18(20)14-28-22-23-21(16-9-10-16)25(24-22)19-7-5-4-6-8-19/h4-8,11-13,16H,3,9-10,14H2,1-2H3