5-(5-chloranyl-2-methoxy-phenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3OS/c1-21-14-8-7-12(17)9-13(14)15-18-16(20-19-15)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,20)