(E)-3-(4-methoxyphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxyphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-methoxyphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(4-methoxyphenyl)-1-[3-(phenacylthio)-1,2,4-triazol-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxyphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxyphenyl)-1-[3-(phenacylthio)-1,2,4-triazol-4-yl]prop-2-en-1-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2C=NN=C2SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2C=NN=C2SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-26-17-10-7-15(8-11-17)9-12-19(25)23-14-21-22-20(23)27-13-18(24)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3/b12-9+