(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C18H15ClN2OS MolecularWeight: 342.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=CS2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=CS2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H15ClN2OS/c1-13-15(9-10-16(22)17-8-5-11-23-17)18(19)21(20-13)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3/b10-9+