4-(5-chloranyl-2-methoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(5-chloro-2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C18H17ClN3O4S- MolecularWeight: 406.86328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NN=C2[S-])C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NN=C2[S-])C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C18H18ClN3O4S/c1-23-13-6-5-11(19)9-12(13)22-17(20-21-18(22)27)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,21,27)/p-1