(E)-1-(2,5-dimethylpyrazol-3-yl)-3-[5-(phenylmethyl)thiophen-2-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[5-(phenylmethyl)thiophen-2-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-benzyl-2-thienyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-pyrazolyl)-3-[5-(phenylmethyl)-2-thiophenyl]-2-propen-1-one IUPAC Name: (E)-3-(5-benzylthiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-benzyl-2-thienyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC=C(S2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)/C=C/C2=CC=C(S2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H18N2OS/c1-14-12-18(21(2)20-14)19(22)11-10-16-8-9-17(23-16)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3/b11-10+