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

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-2-thienyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-2-thiophenyl)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-bromo-2-thienyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C19H16BrN5OS MolecularWeight: 442.33224

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CC(=CS4)Br)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CC(=CS4)Br)/C#N

InChI

InChI=1S/C19H16BrN5OS/c20-15-11-17(27-13-15)10-14(12-21)18-22-23-19(24-6-8-26-9-7-24)25(18)16-4-2-1-3-5-16/h1-5,10-11,13H,6-9H2/b14-10+