3-(2-methylpropyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-(2-methylpropyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-isobutyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methylpropyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methylpropyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-isobutyl-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C24H28N2OS MolecularWeight: 392.55692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#C

InChI

InChI=1S/C24H28N2OS/c1-4-14-28-23-25-21-19-11-7-6-10-18(19)15-24(12-8-5-9-13-24)20(21)22(27)26(23)16-17(2)3/h1,6-7,10-11,17H,5,8-9,12-16H2,2-3H3