4-(4-methylphenyl)-2-sulfanylidene-1,3,4,4a,6,7-hexahydroquinazolin-5-one

Systemtic Name: 4-(4-methylphenyl)-2-sulfanylidene-1,3,4,4a,6,7-hexahydroquinazolin-5-one Openeye Name: 4-(p-tolyl)-2-thioxo-1,3,4,4a,6,7-hexahydroquinazolin-5-one CAS Name: 4-(4-methylphenyl)-2-sulfanylidene-1,3,4,4a,6,7-hexahydroquinazolin-5-one IUPAC Name: 4-(4-methylphenyl)-2-sulfanylidene-1,3,4,4a,6,7-hexahydroquinazolin-5-one Traditional Name: 4-(p-tolyl)-2-thioxo-1,3,4,4a,6,7-hexahydroquinazolin-5-one Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CCC=C3NC(=S)N2

Isomeric SMILES

CC1=CC=C(C=C1)C2C3C(=O)CCC=C3NC(=S)N2

InChI

InChI=1S/C15H16N2OS/c1-9-5-7-10(8-6-9)14-13-11(16-15(19)17-14)3-2-4-12(13)18/h3,5-8,13-14H,2,4H2,1H3,(H2,16,17,19)