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

Systemtic Name: 1-[4-ethoxy-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-[[(4-allyl-5-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(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

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