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

Systemtic Name: (E)-1-(3-methoxyphenyl)-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-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(3-methoxyphenyl)-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-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O2S/c1-28-21-10-5-9-19(15-21)22(27)13-12-20-17-26(16-18-7-3-2-4-8-18)25-24(20)23-11-6-14-29-23/h2-15,17H,16H2,1H3/b13-12+