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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C17H13ClN4OS MolecularWeight: 356.82932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4OS/c1-11-6-7-12(8-13(11)18)22-10-19-21-17(22)24-9-16-20-14-4-2-3-5-15(14)23-16/h2-8,10H,9H2,1H3