2-hexylsulfanyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 2-hexylsulfanyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-hexylsulfanyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-(hexylthio)-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-hexylsulfanyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-(hexylthio)-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN2C(=O)C=C(N=C2S1)C3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=NN2C(=O)C=C(N=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3OS2/c1-2-3-4-8-11-22-17-19-20-15(21)12-14(18-16(20)23-17)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3