3-(2-azanylethylsulfanyl)-5-(phenylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(2-azanylethylsulfanyl)-5-(phenylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-(2-aminoethylsulfanyl)-5-benzyl-1,2,4-triazol-4-amine CAS Name: 3-(2-aminoethylthio)-5-(phenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(2-aminoethylsulfanyl)-5-benzyl-1,2,4-triazol-4-amine Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]ethylamine Formula: C11H15N5S MolecularWeight: 249.3353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCCN

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCCN

InChI

InChI=1S/C11H15N5S/c12-6-7-17-11-15-14-10(16(11)13)8-9-4-2-1-3-5-9/h1-5H,6-8,12-13H2