4-[[4-(2-propan-2-ylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-propan-2-ylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-isopropylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(propan-2-ylthio)-3-pyridinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(isopropylthio)nicotinoyl]piperazino]methyl]benzonitrile Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4OS/c1-16(2)27-20-19(4-3-9-23-20)21(26)25-12-10-24(11-13-25)15-18-7-5-17(14-22)6-8-18/h3-9,16H,10-13,15H2,1-2H3