2-[4-(2,2-diphenylethanethioyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-(2,2-diphenylethanethioyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-(2,2-diphenylethanethioyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(2,2-diphenyl-1-sulfanylideneethyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(2,2-diphenylethanethioyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-(2,2-diphenylthioacetyl)piperazino]-2-(3-pyridyl)acetonitrile Formula: C25H24N4S MolecularWeight: 412.54986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=S)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=S)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4S/c26-18-23(22-12-7-13-27-19-22)28-14-16-29(17-15-28)25(30)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19,23-24H,14-17H2