2-[3-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-[[3-methyl-2-(4-pyridylsulfanylmethyl)-4-pyridyl]sulfanyl]propylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[3-[[3-methyl-2-[(pyridin-4-ylthio)methyl]-4-pyridinyl]thio]propylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-[[3-methyl-2-[(4-pyridylthio)methyl]-4-pyridyl]thio]propylthio]nicotinic acid Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C21H21N3O2S3/c1-15-18(14-29-16-5-9-22-10-6-16)23-11-7-19(15)27-12-3-13-28-20-17(21(25)26)4-2-8-24-20/h2,4-11H,3,12-14H2,1H3,(H,25,26)