4-(3-chloranyl-4-methyl-phenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-methyl-phenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-methylphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-methyl-phenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C17H15ClN3O2S- MolecularWeight: 360.8379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])COC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])COC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-11-3-4-12(9-15(11)18)21-16(19-20-17(21)24)10-23-14-7-5-13(22-2)6-8-14/h3-9H,10H2,1-2H3,(H,20,24)/p-1