1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-ethylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine-3-carbonitrile

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-ethylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine-3-carbonitrile Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-ethylsulfanyl-6-(2-thienyl)-4-(trifluoromethyl)-2H-pyridine-3-carbonitrile CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-5-(ethylthio)-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine-3-carbonitrile IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-ethylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine-3-carbonitrile Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-5-(ethylthio)-6-(2-thienyl)-4-(trifluoromethyl)-2H-pyridine-3-carbonitrile Formula: C25H25F3N4O2S2 MolecularWeight: 534.61681

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N(CC(=C1C(F)(F)F)C#N)N2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C5=CC=CS5

Isomeric SMILES

CCSC1=C(N(CC(=C1C(F)(F)F)C#N)N2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C5=CC=CS5

InChI

InChI=1S/C25H25F3N4O2S2/c1-2-35-24-21(25(26,27)28)17(15-29)16-32(22(24)20-7-4-14-36-20)31-10-8-30(9-11-31)18-5-3-6-19-23(18)34-13-12-33-19/h3-7,14H,2,8-13,16H2,1H3