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

Systemtic Name: 4-ethyl-3-(phenylmethylsulfanyl)-5-propyl-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-ethyl-5-propyl-1,2,4-triazole CAS Name: 4-ethyl-3-(phenylmethylthio)-5-propyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-ethyl-5-propyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-ethyl-5-propyl-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC2=CC=CC=C2

InChI

InChI=1S/C14H19N3S/c1-3-8-13-15-16-14(17(13)4-2)18-11-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3