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

Systemtic Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylonitrile Formula: C28H23N7OS MolecularWeight: 505.59352

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)/C#N

InChI

InChI=1S/C28H23N7OS/c29-19-21(18-22-20-34(23-8-3-1-4-9-23)32-26(22)25-12-7-17-37-25)27-30-31-28(33-13-15-36-16-14-33)35(27)24-10-5-2-6-11-24/h1-12,17-18,20H,13-16H2/b21-18+