2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[2-[4-(1H-indol-4-yl)-1-piperazinyl]ethylthio]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[2-[4-(1H-indol-4-yl)piperazino]ethylthio]-6-methyl-nicotinic acid Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)O)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)O)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C21H24N4O2S/c1-15-5-6-17(21(26)27)20(23-15)28-14-13-24-9-11-25(12-10-24)19-4-2-3-18-16(19)7-8-22-18/h2-8,22H,9-14H2,1H3,(H,26,27)