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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[3-(phenacylthio)-1,2,4-triazol-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-[3-(phenacylthio)-1,2,4-triazol-4-yl]prop-2-en-1-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-27-18-10-8-15(12-19(18)28-2)9-11-20(26)24-14-22-23-21(24)29-13-17(25)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3/b11-9+