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

Systemtic Name: 3-prop-2-enyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Openeye Name: 3-allyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one CAS Name: 3-prop-2-enyl-2-(prop-2-ynylthio)-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]one IUPAC Name: 3-prop-2-enyl-2-prop-2-ynylsulfanylspiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Traditional Name: 3-allyl-2-(propargylthio)spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3C4(C2)CCCC4)N=C1SCC#C

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3C4(C2)CCCC4)N=C1SCC#C

InChI

InChI=1S/C22H22N2OS/c1-3-13-24-20(25)17-15-22(11-7-8-12-22)18-10-6-5-9-16(18)19(17)23-21(24)26-14-4-2/h2-3,5-6,9-10H,1,7-8,11-15H2