2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C5=CC=CC=C5)C

InChI

InChI=1S/C26H23N5OS/c1-16-12-13-20(14-18(16)3)31-24(19-9-5-4-6-10-19)29-30-26(31)33-15-22-27-23-17(2)8-7-11-21(23)25(32)28-22/h4-14H,15H2,1-3H3,(H,27,28,32)