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

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 3-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-isoxazole Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4OS/c1-14-9-10-19(11-15(14)2)25-20(17-7-5-4-6-8-17)22-23-21(25)27-13-18-12-16(3)26-24-18/h4-12H,13H2,1-3H3