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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[3-(prop-2-ynylthio)-1,2,4-triazol-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-[3-(propargylthio)-1,2,4-triazol-4-yl]prop-2-en-1-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-4-9-23-16-18-17-11-19(16)15(20)8-6-12-5-7-13(21-2)14(10-12)22-3/h1,5-8,10-11H,9H2,2-3H3/b8-6+