4-[[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(ethylthio)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(ethylthio)benzoyl]piperazino]methyl]benzonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3OS/c1-2-26-20-6-4-3-5-19(20)21(25)24-13-11-23(12-14-24)16-18-9-7-17(15-22)8-10-18/h3-10H,2,11-14,16H2,1H3