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

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

InChI

InChI=1S/C26H25N3OS/c1-19-8-7-11-23(20(19)2)28-14-16-29(17-15-28)26(30)22-10-4-6-13-25(22)31-24-12-5-3-9-21(24)18-27/h3-13H,14-17H2,1-2H3