5-(phenylmethylsulfanyl)-4H-1,2,3-triazole-3,5-diamine

Systemtic Name: 5-(phenylmethylsulfanyl)-4H-1,2,3-triazole-3,5-diamine Openeye Name: 5-benzylsulfanyl-4H-triazole-3,5-diamine CAS Name: 5-(phenylmethylthio)-4H-triazole-3,5-diamine IUPAC Name: 5-benzylsulfanyl-4H-triazole-3,5-diamine Traditional Name: [3-amino-5-(benzylthio)-4H-triazol-5-yl]amine Formula: C9H13N5S MolecularWeight: 223.29802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=NN1N)(N)SCC2=CC=CC=C2

Isomeric SMILES

C1C(N=NN1N)(N)SCC2=CC=CC=C2

InChI

InChI=1S/C9H13N5S/c10-9(7-14(11)13-12-9)15-6-8-4-2-1-3-5-8/h1-5H,6-7,10-11H2