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

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Openeye Name: 3-(m-tolylmethylsulfanyl)-5-propyl-1,2,4-triazol-4-amine CAS Name: 3-[(3-methylphenyl)methylthio]-5-propyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Traditional Name: [3-[(3-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(=C2)C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=CC(=C2)C

InChI

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