(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[oxo(thiophen-2-yl)methyl]-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-(2-thenoyl)acrylonitrile Formula: C24H17N3OS MolecularWeight: 395.47628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C=C(C#N)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)/C=C(\C#N)/C(=O)C4=CC=CS4

InChI

InChI=1S/C24H17N3OS/c25-15-20(24(28)22-12-7-13-29-22)14-21-17-27(16-18-8-3-1-4-9-18)26-23(21)19-10-5-2-6-11-19/h1-14,17H,16H2/b20-14+