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

Systemtic Name: 3-(3-methylphenyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(m-tolyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methylphenyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(m-tolyl)-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#C

InChI

InChI=1S/C26H24N2OS/c1-3-15-30-25-27-23-21-12-5-4-10-19(21)17-26(13-6-7-14-26)22(23)24(29)28(25)20-11-8-9-18(2)16-20/h1,4-5,8-12,16H,6-7,13-15,17H2,2H3