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

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-methyl-phenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-methylphenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-methylphenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-methyl-phenyl)-5-veratryl-1,2,4-triazole-3-thiolate Formula: C18H17ClN3O2S- MolecularWeight: 374.86448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])CC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])CC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-11-4-6-13(10-14(11)19)22-17(20-21-18(22)25)9-12-5-7-15(23-2)16(8-12)24-3/h4-8,10H,9H2,1-3H3,(H,21,25)/p-1