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

Systemtic Name: 3-(phenylmethylsulfanyl)-5-propyl-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-propyl-1,2,4-triazol-4-amine CAS Name: 3-(phenylmethylthio)-5-propyl-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-propyl-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-propyl-1,2,4-triazol-4-yl]amine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=CC=C2

InChI

InChI=1S/C12H16N4S/c1-2-6-11-14-15-12(16(11)13)17-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9,13H2,1H3