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

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine CAS Name: 4-[(1-methyl-4-pyrazolyl)methyl]-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-yl]amine Formula: C14H16N6S MolecularWeight: 300.38204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CN1C=C(C=N1)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C14H16N6S/c1-19-8-12(7-16-19)9-20-13(15)17-18-14(20)21-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H2,15,17)