(3E)-10-(2-methylsulfanylpyridin-3-yl)-6-piperazin-1-yl-trideca-1,3-dien-5-one

Systemtic Name: (3E)-10-(2-methylsulfanylpyridin-3-yl)-6-piperazin-1-yl-trideca-1,3-dien-5-one Openeye Name: (3E)-10-(2-methylsulfanyl-3-pyridyl)-6-piperazin-1-yl-trideca-1,3-dien-5-one CAS Name: (3E)-10-[2-(methylthio)-3-pyridinyl]-6-(1-piperazinyl)-5-trideca-1,3-dienone IUPAC Name: (3E)-10-(2-methylsulfanylpyridin-3-yl)-6-piperazin-1-yltrideca-1,3-dien-5-one Traditional Name: (3E)-10-[2-(methylthio)-3-pyridyl]-6-piperazino-trideca-1,3-dien-5-one Formula: C23H35N3OS MolecularWeight: 401.6085

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(C(=O)C=CC=C)N1CCNCC1)C2=C(N=CC=C2)SC

Isomeric SMILES

CCCC(CCCC(C(=O)/C=C/C=C)N1CCNCC1)C2=C(N=CC=C2)SC

InChI

InChI=1S/C23H35N3OS/c1-4-6-13-22(27)21(26-17-15-24-16-18-26)12-7-10-19(9-5-2)20-11-8-14-25-23(20)28-3/h4,6,8,11,13-14,19,21,24H,1,5,7,9-10,12,15-18H2,2-3H3/b13-6+