2-morpholin-4-ylcarbonyl-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-morpholin-4-ylcarbonyl-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-[4-morpholinyl(oxo)methyl]-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(morpholine-4-carbonyl)-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylonitrile Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-2-16-33-24-10-8-20(9-11-24)25-22(19-30(28-25)23-6-4-3-5-7-23)17-21(18-27)26(31)29-12-14-32-15-13-29/h3-11,17,19H,2,12-16H2,1H3