(E)-2-ethenyl-2-oxidanyl-3-phenyl-3-(1,2,4-triazol-1-yl)hex-4-enenitrile

Systemtic Name: (E)-2-ethenyl-2-oxidanyl-3-phenyl-3-(1,2,4-triazol-1-yl)hex-4-enenitrile Openeye Name: (E)-2-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)-2-vinyl-hex-4-enenitrile CAS Name: (E)-2-ethenyl-2-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)-4-hexenenitrile IUPAC Name: (E)-2-ethenyl-2-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)hex-4-enenitrile Traditional Name: (E)-2-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)-2-vinyl-hex-4-enenitrile Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C1=CC=CC=C1)(C(C=C)(C#N)O)N2C=NC=N2

Isomeric SMILES

C/C=C/C(C1=CC=CC=C1)(C(C=C)(C#N)O)N2C=NC=N2

InChI

InChI=1S/C16H16N4O/c1-3-10-16(15(21,4-2)11-17,20-13-18-12-19-20)14-8-6-5-7-9-14/h3-10,12-13,21H,2H2,1H3/b10-3+