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

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(5-chloro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=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)