3-(3,3-dimethoxypropylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(3,3-dimethoxypropylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-(3,3-dimethoxypropylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-(3,3-dimethoxypropylthio)-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(3,3-dimethoxypropylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-(3,3-dimethoxypropylthio)-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCSC1=NNC(=N1)NC2=CC=CC=C2)OC

Isomeric SMILES

COC(CCSC1=NNC(=N1)NC2=CC=CC=C2)OC

InChI

InChI=1S/C13H18N4O2S/c1-18-11(19-2)8-9-20-13-15-12(16-17-13)14-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,14,15,16,17)