2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C19H18ClN3OS MolecularWeight: 371.88372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H18ClN3OS/c20-15-4-3-5-16(14-15)22-9-11-23(12-10-22)19(24)17-6-1-2-7-18(17)25-13-8-21/h1-7,14H,9-13H2