4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine

Systemtic Name: 4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-amine CAS Name: 4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]amine Formula: C11H14N4S MolecularWeight: 234.32066

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)N

InChI

InChI=1S/C11H14N4S/c1-2-15-10(12)13-14-11(15)16-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13)