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

Systemtic Name: 3-(2-methylpropyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-isobutyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methylpropyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methylpropyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-isobutyl-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#C

InChI

InChI=1S/C23H26N2OS/c1-4-13-27-22-24-20-18-10-6-5-9-17(18)14-23(11-7-8-12-23)19(20)21(26)25(22)15-16(2)3/h1,5-6,9-10,16H,7-8,11-15H2,2-3H3