3-[[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine

Systemtic Name: 3-[[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine Openeye Name: 3-[[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine CAS Name: 3-[[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-propanamine IUPAC Name: 3-[[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine Traditional Name: 3-[[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propylamine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CN1C(=NN=C1SCCCN)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C14H20N4O2S/c1-18-13(16-17-14(18)21-9-5-8-15)12-10(19-2)6-4-7-11(12)20-3/h4,6-7H,5,8-9,15H2,1-3H3