2-prop-2-ynylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-prop-2-ynylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-prop-2-ynylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(prop-2-ynylthio)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-prop-2-ynylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(propargylthio)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4

Isomeric SMILES

C#CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4

InChI

InChI=1S/C20H20N2OS/c1-2-12-24-19-21-17-15-9-5-4-8-14(15)13-20(10-6-3-7-11-20)16(17)18(23)22-19/h1,4-5,8-9H,3,6-7,10-13H2,(H,21,22,23)