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

Systemtic Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-[4-phenyl-2-(1-piperidyl)thiazol-5-yl]prop-2-enenitrile CAS Name: (E)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-[4-phenyl-2-(1-piperidinyl)-5-thiazolyl]-2-propenenitrile IUPAC Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(4-phenyl-2-piperidino-thiazol-5-yl)acrylonitrile Formula: C29H29N7OS MolecularWeight: 523.65186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C(S2)C=C(C#N)C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2=NC(=C(S2)/C=C(\C#N)/C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C29H29N7OS/c30-21-23(27-32-33-28(34-16-18-37-19-17-34)36(27)24-12-6-2-7-13-24)20-25-26(22-10-4-1-5-11-22)31-29(38-25)35-14-8-3-9-15-35/h1-2,4-7,10-13,20H,3,8-9,14-19H2/b23-20+