3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H20N2OS/c1-10-6-5-9-14(11(10)2)18-15(19)12-7-3-4-8-13(12)17-16(18)20/h3-4,7-8,10-11,14H,5-6,9H2,1-2H3,(H,17,20)/t10-,11-,14+/m1/s1