2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N5OS/c1-12-8-10-14(11-9-12)18-23-24-20(25(18)3)27-13(2)17-21-16-7-5-4-6-15(16)19(26)22-17/h4-11,13H,1-3H3,(H,21,22,26)