4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]aniline

Systemtic Name: 4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]aniline Openeye Name: 4-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]aniline CAS Name: 4-[[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]aniline IUPAC Name: 4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]aniline Traditional Name: [4-[[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCC2=CC=C(C=C2)N

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCC2=CC=C(C=C2)N

InChI

InChI=1S/C13H18N4S/c1-9(2)7-12-15-13(17-16-12)18-8-10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,16,17)