2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)C

InChI

InChI=1S/C25H21N5OS/c1-16-12-13-19(14-17(16)2)30-23(18-8-4-3-5-9-18)28-29-25(30)32-15-22-26-21-11-7-6-10-20(21)24(31)27-22/h3-14H,15H2,1-2H3,(H,26,27,31)