2-[2-(4-phenethylpiperazin-1-yl)carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-(4-phenethylpiperazin-1-yl)carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-(4-phenethylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[oxo-(4-phenethyl-1-piperazinyl)methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-(4-phenethylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-phenethylpiperazine-1-carbonyl)phenyl]thio]acetonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H23N3OS/c22-11-17-26-20-9-5-4-8-19(20)21(25)24-15-13-23(14-16-24)12-10-18-6-2-1-3-7-18/h1-9H,10,12-17H2