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

Systemtic Name: 3-butyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-butyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-butyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-butyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-butyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C14H20N4S MolecularWeight: 276.4004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC2=CC=CC=C2C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC2=CC=CC=C2C

InChI

InChI=1S/C14H20N4S/c1-3-4-9-13-16-17-14(18(13)15)19-10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10,15H2,1-2H3