2-[(4-methoxyphenyl)sulfanylmethyl]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[[(4-methoxyphenyl)thio]methyl]-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[[(4-methoxyphenyl)thio]methyl]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H30N2O2S MolecularWeight: 494.6471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC2=NC3=C(C(=O)N2C4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

Isomeric SMILES

COC1=CC=C(C=C1)SCC2=NC3=C(C(=O)N2C4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C31H30N2O2S/c1-35-24-14-16-25(17-15-24)36-21-27-32-29-26-13-7-6-10-22(26)20-31(18-8-3-9-19-31)28(29)30(34)33(27)23-11-4-2-5-12-23/h2,4-7,10-17H,3,8-9,18-21H2,1H3