2-[5-[(3-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(3-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[4-isobutyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-methylphenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(3-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[4-isobutyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]ethylamine Formula: C16H24N4S MolecularWeight: 304.45356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC(C)C)CCN

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC(C)C)CCN

InChI

InChI=1S/C16H24N4S/c1-12(2)10-20-15(7-8-17)18-19-16(20)21-11-14-6-4-5-13(3)9-14/h4-6,9,12H,7-8,10-11,17H2,1-3H3