(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-ethylbenzofuran-3-yl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-ethyl-3-benzofuranyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(2-ethylbenzofuran-3-yl)acrylonitrile Formula: C22H18N6O MolecularWeight: 382.41792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=C(C#N)C3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C(\C#N)/C3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H18N6O/c1-2-18-17(16-10-6-7-11-19(16)29-18)12-14(13-23)20-26-21(24)28-22(27-20)25-15-8-4-3-5-9-15/h3-12H,2H2,1H3,(H3,24,25,26,27,28)/b14-12+