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

Systemtic Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[2-[4-(1H-indol-4-yl)-1-piperazinyl]ethylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[2-[4-(1H-indol-4-yl)piperazino]ethylthio]-6-methyl-nicotinonitrile Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5S/c1-16-5-6-17(15-22)21(24-16)27-14-13-25-9-11-26(12-10-25)20-4-2-3-19-18(20)7-8-23-19/h2-8,23H,9-14H2,1H3