N-[(1S,2S)-2-methylcyclohexyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c1-15-8-5-6-11-18(15)22-21(25)17-14-24(16-9-3-2-4-10-16)23-20(17)19-12-7-13-26-19/h2-4,7,9-10,12-15,18H,5-6,8,11H2,1H3,(H,22,25)/t15-,18-/m0/s1