(3-chloranyl-1-benzothiophen-2-yl)-[3-(4-methoxyphenyl)-5-phenyl-pyrazol-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[3-(4-methoxyphenyl)-5-phenyl-pyrazol-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[3-(4-methoxyphenyl)-5-phenyl-pyrazol-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[3-(4-methoxyphenyl)-5-phenyl-1-pyrazolyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[3-(4-methoxyphenyl)-5-phenyl-pyrazol-1-yl]methanone Formula: C25H17ClN2O2S MolecularWeight: 444.93268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H17ClN2O2S/c1-30-18-13-11-16(12-14-18)20-15-21(17-7-3-2-4-8-17)28(27-20)25(29)24-23(26)19-9-5-6-10-22(19)31-24/h2-15H,1H3