3-ethyl-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-ethyl-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-ethyl-4-phenyl-1,2,4-triazole CAS Name: 3-ethyl-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-ethyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-ethyl-4-phenyl-1,2,4-triazole Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-2-16-18-19-17(20(16)15-11-7-4-8-12-15)21-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3