5-cyclohexyl-2-heptylsulfanyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: 5-cyclohexyl-2-heptylsulfanyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: 5-cyclohexyl-2-heptylsulfanyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-2-(heptylthio)-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: 5-cyclohexyl-2-heptylsulfanyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: 5-cyclohexyl-2-(heptylthio)-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C26H36N2OS MolecularWeight: 424.64184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2(C)C4CCCCC4

Isomeric SMILES

CCCCCCCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2(C)C4CCCCC4

InChI

InChI=1S/C26H36N2OS/c1-3-4-5-6-12-17-30-25-27-23-21-16-11-10-13-19(21)18-26(2,22(23)24(29)28-25)20-14-8-7-9-15-20/h10-11,13,16,20H,3-9,12,14-15,17-18H2,1-2H3,(H,27,28,29)