3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H22N4O2S/c1-12-5-6-13(2)15(9-12)11-26-19-22-21-18(23(19)20)14-7-8-16(24-3)17(10-14)25-4/h5-10H,11,20H2,1-4H3