(E)-3-(3-bromophenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromophenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromophenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromophenyl)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromophenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromophenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CC(=CC=C4)Br)/C#N

InChI

InChI=1S/C21H18BrN5O/c22-18-6-4-5-16(14-18)13-17(15-23)20-24-25-21(26-9-11-28-12-10-26)27(20)19-7-2-1-3-8-19/h1-8,13-14H,9-12H2/b17-13+