2-(2-chloranylprop-2-enylsulfanyl)-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]quinazolin-4-one

Systemtic Name: 2-(2-chloranylprop-2-enylsulfanyl)-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]quinazolin-4-one Openeye Name: 2-(2-chloroallylsulfanyl)-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]quinazolin-4-one CAS Name: 2-(2-chloroprop-2-enylthio)-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-quinazolinone IUPAC Name: 2-(2-chloroprop-2-enylsulfanyl)-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]quinazolin-4-one Traditional Name: 2-(2-chloroallylthio)-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]quinazolin-4-one Formula: C19H23ClN2OS MolecularWeight: 362.91672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=C)Cl

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=C)Cl

InChI

InChI=1S/C19H23ClN2OS/c1-12-7-6-10-17(14(12)3)22-18(23)15-8-4-5-9-16(15)21-19(22)24-11-13(2)20/h4-5,8-9,12,14,17H,2,6-7,10-11H2,1,3H3/t12-,14+,17+/m0/s1