2-[(1S)-1-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2S[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4OS/c1-13-8-9-14(2)18(12-13)25-11-10-22-21(25)27-15(3)19-23-17-7-5-4-6-16(17)20(26)24-19/h4-12,15H,1-3H3,(H,23,24,26)/t15-/m0/s1