N-(3-chloranyl-4-methoxy-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-chloro-4-methoxy-phenyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3-chloro-4-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3-chloro-4-methoxy-phenyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S/c1-28-19-10-9-16(12-18(19)23)24-22(27)17-14-26(13-15-6-3-2-4-7-15)25-21(17)20-8-5-11-29-20/h2-12,14H,13H2,1H3,(H,24,27)