3-butylsulfanyl-5-(4-methylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-butylsulfanyl-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-butylsulfanyl-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-(butylthio)-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-butylsulfanyl-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(butylthio)-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1N)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCSC1=NN=C(N1N)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H18N4S/c1-3-4-9-18-13-16-15-12(17(13)14)11-7-5-10(2)6-8-11/h5-8H,3-4,9,14H2,1-2H3