(E)-1-(3,4-dimethylphenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dimethylphenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(3,4-dimethylphenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dimethylphenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(3,4-dimethylphenyl)prop-2-en-1-one Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2OS/c1-18-10-11-21(15-19(18)2)23(28)13-12-22-17-27(16-20-7-4-3-5-8-20)26-25(22)24-9-6-14-29-24/h3-15,17H,16H2,1-2H3/b13-12+