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

Systemtic Name: 4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]methyl]benzonitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3OS/c1-18-3-2-4-21(13-18)15-24-9-11-25(12-10-24)22(26)17-27-16-20-7-5-19(14-23)6-8-20/h2-8,13H,9-12,15-17H2,1H3