N-(2-cyclohexylpyrazol-3-yl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-cyclohexylpyrazol-3-yl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-cyclohexylpyrazol-3-yl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-cyclohexyl-3-pyrazolyl)-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-cyclohexylpyrazol-3-yl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-cyclohexylpyrazol-3-yl)-2-(phenylthio)nicotinamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-20(24-19-13-15-23-25(19)16-8-3-1-4-9-16)18-12-7-14-22-21(18)27-17-10-5-2-6-11-17/h2,5-7,10-16H,1,3-4,8-9H2,(H,24,26)