2-[4-[2-(diphenylmethyl)sulfanylethanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile

Systemtic Name: 2-[4-[2-(diphenylmethyl)sulfanylethanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-(2-benzhydrylsulfanylacetyl)piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-[2-[(diphenylmethyl)thio]-1-oxoethyl]-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(2-benzhydrylsulfanylacetyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-[2-(benzhydrylthio)acetyl]piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-21-24(13-8-14-29-21)25(19-28)30-15-17-31(18-16-30)26(32)20-33-27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,25,27H,15-18,20H2,1H3