4-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-3,5-dimethyl-N-phenyl-pyrazole-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-3,5-dimethyl-N-phenyl-pyrazole-1-carboxamide Openeye Name: 4-[(5-chlorobenzothiophen-3-yl)methyl]-3,5-dimethyl-N-phenyl-pyrazole-1-carboxamide CAS Name: 4-[(5-chloro-1-benzothiophen-3-yl)methyl]-3,5-dimethyl-N-phenyl-1-pyrazolecarboxamide IUPAC Name: 4-[(5-chloro-1-benzothiophen-3-yl)methyl]-3,5-dimethyl-N-phenylpyrazole-1-carboxamide Traditional Name: 4-[(5-chlorobenzothiophen-3-yl)methyl]-3,5-dimethyl-N-phenyl-pyrazole-1-carboxamide Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)NC2=CC=CC=C2)C)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)NC2=CC=CC=C2)C)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3OS/c1-13-18(10-15-12-27-20-9-8-16(22)11-19(15)20)14(2)25(24-13)21(26)23-17-6-4-3-5-7-17/h3-9,11-12H,10H2,1-2H3,(H,23,26)