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

Systemtic Name: 3-(3-methylphenyl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(m-tolyl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methylphenyl)-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methylphenyl)-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(m-tolyl)-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H28N2O2S MolecularWeight: 492.63122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H28N2O2S/c1-21-10-9-14-24(18-21)33-29(35)27-28(32-30(33)36-20-26(34)22-11-3-2-4-12-22)25-15-6-5-13-23(25)19-31(27)16-7-8-17-31/h2-6,9-15,18H,7-8,16-17,19-20H2,1H3