2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-methyl-pyridine-3-carbonitrile Openeye Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-methyl-pyridine-3-carbonitrile CAS Name: 2-(ethylthio)-5-[4-(1H-indol-4-yl)-1-piperazinyl]-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-methylpyridine-3-carbonitrile Traditional Name: 2-(ethylthio)-5-[4-(1H-indol-4-yl)piperazino]-4-methyl-nicotinonitrile Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=C1C#N)C)N2CCN(CC2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

CCSC1=NC=C(C(=C1C#N)C)N2CCN(CC2)C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C21H23N5S/c1-3-27-21-17(13-22)15(2)20(14-24-21)26-11-9-25(10-12-26)19-6-4-5-18-16(19)7-8-23-18/h4-8,14,23H,3,9-12H2,1-2H3