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

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N)C

InChI

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