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

Systemtic Name: 5-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Openeye Name: 5-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-isoxazole CAS Name: 5-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylisoxazole IUPAC Name: 5-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Traditional Name: 5-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-isoxazole Formula: C14H13ClN4OS MolecularWeight: 320.79722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC(=NO3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC(=NO3)C)Cl

InChI

InChI=1S/C14H13ClN4OS/c1-9-3-4-11(6-13(9)15)19-8-16-17-14(19)21-7-12-5-10(2)18-20-12/h3-6,8H,7H2,1-2H3