4-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(coumaran-5-ylmethyl)piperazino]-2-keto-ethyl]thio]methyl]benzonitrile Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CSCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CSCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O2S/c24-14-18-1-3-19(4-2-18)16-29-17-23(27)26-10-8-25(9-11-26)15-20-5-6-22-21(13-20)7-12-28-22/h1-6,13H,7-12,15-17H2