methyl (E)-3-[(2-methylsulfanylphenyl)amino]-2-(1,2,4-triazol-1-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-[(2-methylsulfanylphenyl)amino]-2-(1,2,4-triazol-1-yl)prop-2-enoate Openeye Name: methyl (E)-3-(2-methylsulfanylanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate CAS Name: (E)-3-[2-(methylthio)anilino]-2-(1,2,4-triazol-1-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-methylsulfanylanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate Traditional Name: (E)-3-[2-(methylthio)anilino]-2-(1,2,4-triazol-1-yl)acrylic acid methyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=CC=CC=C1SC)N2C=NC=N2

Isomeric SMILES

COC(=O)/C(=C\NC1=CC=CC=C1SC)/N2C=NC=N2

InChI

InChI=1S/C13H14N4O2S/c1-19-13(18)11(17-9-14-8-16-17)7-15-10-5-3-4-6-12(10)20-2/h3-9,15H,1-2H3/b11-7+