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

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-phenylazanyl-3-prop-2-enylsulfanyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-allylsulfanyl-3-anilino-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-anilino-1-(4-methoxyphenyl)-3-(prop-2-enylthio)-2-(1,2,4-triazol-1-yl)-2-propen-1-one IUPAC Name: (E)-3-anilino-1-(4-methoxyphenyl)-3-prop-2-enylsulfanyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(allylthio)-3-anilino-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)SCC=C)N3C=NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/NC2=CC=CC=C2)\SCC=C)/N3C=NC=N3

InChI

InChI=1S/C21H20N4O2S/c1-3-13-28-21(24-17-7-5-4-6-8-17)19(25-15-22-14-23-25)20(26)16-9-11-18(27-2)12-10-16/h3-12,14-15,24H,1,13H2,2H3/b21-19+