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

Systemtic Name: 1-[4-ethoxy-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O2S/c1-4-25-19-11-10-16(14(2)24)12-17(19)13-26-20-22-21-15(3)23(20)18-8-6-5-7-9-18/h5-12H,4,13H2,1-3H3