3-[3-[(E)-2-thiophen-3-ylethenyl]pyrazol-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[3-[(E)-2-thiophen-3-ylethenyl]pyrazol-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[3-[(E)-2-(3-thienyl)vinyl]pyrazole-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[3-[(E)-2-(3-thiophenyl)ethenyl]-1-pyrazolyl]methyl]benzonitrile IUPAC Name: 3-[3-[(E)-2-thiophen-3-ylethenyl]pyrazole-1-carbonyl]benzonitrile Traditional Name: 3-[3-[(E)-2-(3-thienyl)vinyl]pyrazole-1-carbonyl]benzonitrile Formula: C17H11N3OS MolecularWeight: 305.35374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)N2C=CC(=N2)C=CC3=CSC=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)N2C=CC(=N2)/C=C/C3=CSC=C3)C#N

InChI

InChI=1S/C17H11N3OS/c18-11-14-2-1-3-15(10-14)17(21)20-8-6-16(19-20)5-4-13-7-9-22-12-13/h1-10,12H/b5-4+