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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-allyl-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-3-prop-2-enyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-allyl-2-[(4-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCC4)CC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCC4)CC5=CC=CC=C53

InChI

InChI=1S/C27H28N2OS/c1-3-16-29-25(30)23-24(28-26(29)31-18-20-12-10-19(2)11-13-20)22-9-5-4-8-21(22)17-27(23)14-6-7-15-27/h3-5,8-13H,1,6-7,14-18H2,2H3