S-[4-[[4-piperidin-1-yl-6-(4-prop-2-enoylsulfanylphenyl)sulfanyl-1,3,5-triazin-2-yl]sulfanyl]phenyl] prop-2-enethioate

Systemtic Name: S-[4-[[4-piperidin-1-yl-6-(4-prop-2-enoylsulfanylphenyl)sulfanyl-1,3,5-triazin-2-yl]sulfanyl]phenyl] prop-2-enethioate Openeye Name: S-[4-[[4-(1-piperidyl)-6-(4-prop-2-enoylsulfanylphenyl)sulfanyl-1,3,5-triazin-2-yl]sulfanyl]phenyl] prop-2-enethioate CAS Name: 2-propenethioic acid S-[4-[[4-[[4-(1-oxoprop-2-enylthio)phenyl]thio]-6-(1-piperidinyl)-1,3,5-triazin-2-yl]thio]phenyl] ester IUPAC Name: S-[4-[[4-piperidin-1-yl-6-(4-prop-2-enoylsulfanylphenyl)sulfanyl-1,3,5-triazin-2-yl]sulfanyl]phenyl] prop-2-enethioate Traditional Name: prop-2-enethioic acid S-[4-[[4-[[4-(acryloylthio)phenyl]thio]-6-piperidino-s-triazin-2-yl]thio]phenyl] ester Formula: C26H24N4O2S4 MolecularWeight: 552.75436

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)SC1=CC=C(C=C1)SC2=NC(=NC(=N2)N3CCCCC3)SC4=CC=C(C=C4)SC(=O)C=C

Isomeric SMILES

C=CC(=O)SC1=CC=C(C=C1)SC2=NC(=NC(=N2)N3CCCCC3)SC4=CC=C(C=C4)SC(=O)C=C

InChI

InChI=1S/C26H24N4O2S4/c1-3-22(31)33-18-8-12-20(13-9-18)35-25-27-24(30-16-6-5-7-17-30)28-26(29-25)36-21-14-10-19(11-15-21)34-23(32)4-2/h3-4,8-15H,1-2,5-7,16-17H2