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

Systemtic Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 3-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-isoxazole Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NN=C(N2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=NN=C(N2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-14-11-16(24-28-14)13-29-21-23-22-20(15-7-5-4-6-8-15)25(21)17-9-10-18(26-2)19(12-17)27-3/h4-12H,13H2,1-3H3