N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-[2-(cyclohexylmethyl)-3-pyrazolyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCC(CC1)CN2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H26N4O3S/c29-23(27-22-10-12-26-28(22)16-17-5-2-1-3-6-17)19-7-4-11-25-24(19)32-18-8-9-20-21(15-18)31-14-13-30-20/h4,7-12,15,17H,1-3,5-6,13-14,16H2,(H,27,29)