3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]methyl]benzonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H23N3O2S/c1-26-20-7-5-19(6-8-20)23-9-11-24(12-10-23)21(25)16-27-15-18-4-2-3-17(13-18)14-22/h2-8,13H,9-12,15-16H2,1H3