3-heptylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-heptylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-heptylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(heptylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-heptylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(heptylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C16H24N4OS MolecularWeight: 320.45296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4OS/c1-3-4-5-6-7-12-22-16-19-18-15(20(16)17)13-8-10-14(21-2)11-9-13/h8-11H,3-7,12,17H2,1-2H3