3-[(2-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Openeye Name: 3-(o-tolylmethylsulfanyl)-5-propyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-methylphenyl)methylthio]-5-propyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-methylbenzyl)thio]-5-propyl-1,2,4-triazol-4-yl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC=CC=C2C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=CC=C2C

InChI

InChI=1S/C13H18N4S/c1-3-6-12-15-16-13(17(12)14)18-9-11-8-5-4-7-10(11)2/h4-5,7-8H,3,6,9,14H2,1-2H3