1-(4-ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone CAS Name: 1-(4-ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)ethanone Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

InChI

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