2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-(ethylthio)-5-[4-(1H-indol-4-yl)-1-piperazinyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(ethylthio)-5-[4-(1H-indol-4-yl)piperazino]-4,6-dimethyl-nicotinonitrile Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5S/c1-4-28-22-18(14-23)15(2)21(16(3)25-22)27-12-10-26(11-13-27)20-7-5-6-19-17(20)8-9-24-19/h5-9,24H,4,10-13H2,1-3H3