3-hexylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-hexylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine Openeye Name: 3-hexylsulfanyl-5-(3-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-(hexylthio)-5-(3-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-hexylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine Traditional Name: [3-(hexylthio)-5-(3-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CCCCCCSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C13H19N5S/c1-2-3-4-5-9-19-13-17-16-12(18(13)14)11-7-6-8-15-10-11/h6-8,10H,2-5,9,14H2,1H3