ethyl (E)-2-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]acrylic acid ethyl ester Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17N5O2/c1-2-28-20(27)17(13-22)14-23-21-24-18(15-9-5-3-6-10-15)19(25-26-21)16-11-7-4-8-12-16/h3-12,14H,2H2,1H3,(H,23,24,26)/b17-14+