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

Systemtic Name: [4-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]methanamine Openeye Name: [5-methylsulfanyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]methanamine CAS Name: [4-[(4-methylphenyl)methyl]-5-(methylthio)-1,2,4-triazol-3-yl]methanamine IUPAC Name: [4-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]methanamine Traditional Name: [4-(4-methylbenzyl)-5-(methylthio)-1,2,4-triazol-3-yl]methylamine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4S/c1-9-3-5-10(6-4-9)8-16-11(7-13)14-15-12(16)17-2/h3-6H,7-8,13H2,1-2H3