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

Systemtic Name: 4-phenethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-phenethyl-1,2,4-triazol-3-amine CAS Name: 4-phenethyl-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-phenethyl-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-phenethyl-1,2,4-triazol-3-yl]amine Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C17H18N4S/c18-16-19-20-17(22-13-15-9-5-2-6-10-15)21(16)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,18,19)