N-(3,4-dimethoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(3,4-dimethoxyphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-(3,4-dimethoxyphenyl)amine Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C17H18N4O2S/c1-22-14-9-8-13(10-15(14)23-2)18-16-19-17(21-20-16)24-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,18,19,20,21)