3-butyl-2-butylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-butyl-2-butylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-butylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-(butylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-butylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-butyl-2-(butylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCCC

InChI

InChI=1S/C25H34N2OS/c1-3-5-16-27-23(28)21-22(26-24(27)29-17-6-4-2)20-13-9-8-12-19(20)18-25(21)14-10-7-11-15-25/h8-9,12-13H,3-7,10-11,14-18H2,1-2H3