2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H16N4OS/c1-12-7-8-13(2)15(9-12)22-11-19-21-18(22)24-10-17-20-14-5-3-4-6-16(14)23-17/h3-9,11H,10H2,1-2H3