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

Systemtic Name: 2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]ethanamine Openeye Name: 2-[(5-methyl-2-phenyl-triazol-4-yl)methylsulfanyl]ethanamine CAS Name: 2-[(5-methyl-2-phenyl-4-triazolyl)methylthio]ethanamine IUPAC Name: 2-[(5-methyl-2-phenyltriazol-4-yl)methylsulfanyl]ethanamine Traditional Name: 2-[(5-methyl-2-phenyl-triazol-4-yl)methylthio]ethylamine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CSCCN)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1CSCCN)C2=CC=CC=C2

InChI

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