2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(4-cyanobenzyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H22N4OS/c27-17-20-9-11-21(12-10-20)19-29-13-15-30(16-14-29)26(31)23-6-2-4-8-25(23)32-24-7-3-1-5-22(24)18-28/h1-12H,13-16,19H2