2-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4OS/c25-17-20-5-1-3-7-22(20)30-23-8-4-2-6-21(23)24(29)28-15-13-27(14-16-28)18-19-9-11-26-12-10-19/h1-12H,13-16,18H2