2-(sulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-(sulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(sulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(mercaptomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(sulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(mercaptomethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CS

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CS

InChI

InChI=1S/C18H20N2OS/c21-17-15-16(19-14(11-22)20-17)13-7-3-2-6-12(13)10-18(15)8-4-1-5-9-18/h2-3,6-7,22H,1,4-5,8-11H2,(H,19,20,21)