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

Systemtic Name: 3-(3-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-chlorophenyl)-5-[(2,5-dimethoxybenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H17ClN4O2S/c1-23-14-6-7-15(24-2)12(9-14)10-25-17-21-20-16(22(17)19)11-4-3-5-13(18)8-11/h3-9H,10,19H2,1-2H3