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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,1-benzoxazin-4-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,1-benzoxazin-4-one CAS Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3,1-benzoxazin-4-one IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,1-benzoxazin-4-one Traditional Name: 2-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3,1-benzoxazin-4-one Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)O3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)O3)C5=CC=CC=C5)C

InChI

InChI=1S/C25H20N4O2S/c1-16-12-13-19(14-17(16)2)29-23(18-8-4-3-5-9-18)27-28-25(29)32-15-22-26-21-11-7-6-10-20(21)24(30)31-22/h3-14H,15H2,1-2H3