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

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-veratryl-1H-1,2,4-triazole-5-thione Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)CC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=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)