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

Systemtic Name: 2-[1-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[5-methyl-4-(m-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(=CC=C1)N2C(=NN=C2SC(C)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

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

InChI

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