2-[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-(2-methoxy-4-methylsulfanyl-benzoyl)piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[4-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-[4-(2-methoxy-4-methylsulfanylbenzoyl)piperazin-1-yl]-2-phenylacetonitrile Traditional Name: 2-[4-[2-methoxy-4-(methylthio)benzoyl]piperazino]-2-phenyl-acetonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-26-20-14-17(27-2)8-9-18(20)21(25)24-12-10-23(11-13-24)19(15-22)16-6-4-3-5-7-16/h3-9,14,19H,10-13H2,1-2H3