3-ethyl-2-prop-2-enylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-ethyl-2-prop-2-enylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-allylsulfanyl-3-ethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-ethyl-2-(prop-2-enylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-ethyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(allylthio)-3-ethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC=C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC=C

InChI

InChI=1S/C22H26N2OS/c1-3-14-26-21-23-19-17-11-7-6-10-16(17)15-22(12-8-5-9-13-22)18(19)20(25)24(21)4-2/h3,6-7,10-11H,1,4-5,8-9,12-15H2,2H3