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

Systemtic Name: 2-(phenylsulfanylmethyl)-3-prop-2-enyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Openeye Name: 3-allyl-2-(phenylsulfanylmethyl)spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one CAS Name: 2-[(phenylthio)methyl]-3-prop-2-enyl-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]one IUPAC Name: 2-(phenylsulfanylmethyl)-3-prop-2-enylspiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Traditional Name: 3-allyl-2-[(phenylthio)methyl]spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC2=C(C1=O)CC3(CCCCC3)C4=CC=CC=C42)CSC5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NC2=C(C1=O)CC3(CCCCC3)C4=CC=CC=C42)CSC5=CC=CC=C5

InChI

InChI=1S/C27H28N2OS/c1-2-17-29-24(19-31-20-11-5-3-6-12-20)28-25-21-13-7-8-14-23(21)27(15-9-4-10-16-27)18-22(25)26(29)30/h2-3,5-8,11-14H,1,4,9-10,15-19H2