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

Systemtic Name: 2-[1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5OS/c1-16-12-14-19(15-13-16)30-23(18-8-4-3-5-9-18)28-29-25(30)32-17(2)22-26-21-11-7-6-10-20(21)24(31)27-22/h3-15,17H,1-2H3,(H,26,27,31)