2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: 2-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: 2-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]ethylamine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CCN

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CCN

InChI

InChI=1S/C12H16N4S/c1-16-11(7-8-13)14-15-12(16)17-9-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3