2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-[(3-methyl-2-thienyl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-[(3-methyl-2-thiophenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-[(3-methyl-2-thienyl)methyl]-1H-pyrazol-2-ium-3-yl]nicotinamide Formula: C23H21N4O3S2+ MolecularWeight: 465.56784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[N+]2=C(C=CN2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(SC=C1)C[N+]2=C(C=CN2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H20N4O3S2/c1-15-7-12-31-20(15)14-27-21(6-9-25-27)26-22(28)17-3-2-8-24-23(17)32-16-4-5-18-19(13-16)30-11-10-29-18/h2-9,12-13H,10-11,14H2,1H3,(H,25,26,28)/p+1