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

Systemtic Name: 3-(cyclopentylmethyl)-2-prop-2-enylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-allylsulfanyl-3-(cyclopentylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(cyclopentylmethyl)-2-(prop-2-enylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(cyclopentylmethyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(allylthio)-3-(cyclopentylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

C=CCSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H30N2OS/c1-2-15-29-24-26-22-20-12-6-5-11-19(20)16-25(13-7-8-14-25)21(22)23(28)27(24)17-18-9-3-4-10-18/h2,5-6,11-12,18H,1,3-4,7-10,13-17H2