2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-cyclohexylpyrazol-3-yl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-cyclohexylpyrazol-3-yl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2-cyclohexylpyrazol-3-yl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(2-cyclohexyl-3-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-cyclohexylpyrazol-3-yl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2-cyclohexylpyrazol-3-yl)nicotinamide Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N5O4S/c30-22(27-16-8-9-19-20(13-16)33-15-32-19)14-34-24-18(7-4-11-25-24)23(31)28-21-10-12-26-29(21)17-5-2-1-3-6-17/h4,7-13,17H,1-3,5-6,14-15H2,(H,27,30)(H,28,31)