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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=CC=C2)N

InChI

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