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

Systemtic Name: 3-heptylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine Openeye Name: 3-heptylsulfanyl-5-(3-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-(heptylthio)-5-(3-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-heptylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine Traditional Name: [3-(heptylthio)-5-(3-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C14H21N5S MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CCCCCCCSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C14H21N5S/c1-2-3-4-5-6-10-20-14-18-17-13(19(14)15)12-8-7-9-16-11-12/h7-9,11H,2-6,10,15H2,1H3