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

Systemtic Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: (1S)-1-[5-methylsulfanyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-(methylthio)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: [(1S)-1-[4-(4-methylbenzyl)-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SC)C(C)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SC)[C@H](C)N

InChI

InChI=1S/C13H18N4S/c1-9-4-6-11(7-5-9)8-17-12(10(2)14)15-16-13(17)18-3/h4-7,10H,8,14H2,1-3H3/t10-/m0/s1