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

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]ethanamine IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]ethylamine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN)CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCN)CCC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-17-12(15-16-13(17)18-10-9-14)8-7-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3