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

Systemtic Name: 3-(4-methoxyphenyl)-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Openeye Name: 3-(4-methoxyphenyl)-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one CAS Name: 3-(4-methoxyphenyl)-2-(prop-2-ynylthio)-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]one IUPAC Name: 3-(4-methoxyphenyl)-2-prop-2-ynylsulfanylspiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Traditional Name: 3-(4-methoxyphenyl)-2-(propargylthio)spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4C5(C3)CCCC5)N=C2SCC#C

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4C5(C3)CCCC5)N=C2SCC#C

InChI

InChI=1S/C26H24N2O2S/c1-3-16-31-25-27-23-20-8-4-5-9-22(20)26(14-6-7-15-26)17-21(23)24(29)28(25)18-10-12-19(30-2)13-11-18/h1,4-5,8-13H,6-7,14-17H2,2H3