ethyl (E)-2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]acrylic acid ethyl ester Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NN1)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=NN1)SC)/C#N

InChI

InChI=1S/C9H11N5O2S/c1-3-16-7(15)6(4-10)5-11-8-12-9(17-2)14-13-8/h5H,3H2,1-2H3,(H2,11,12,13,14)/b6-5+