2-methylpropane; 3-phenyl-2-sulfanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-methylpropane; 3-phenyl-2-sulfanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: isobutane; 3-phenyl-2-thioxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-methylpropane; 3-phenyl-2-sulfanylidene-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-methylpropane; 3-phenyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: isobutane; 3-phenyl-2-thioxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C.C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=S)N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C.C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=S)N4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N2OS.C4H10/c25-20-18-19(23-21(26)24(20)16-9-2-1-3-10-16)17-11-5-4-8-15(17)14-22(18)12-6-7-13-22;1-4(2)3/h1-5,8-11H,6-7,12-14H2,(H,23,26);4H,1-3H3