4-ethyl-3-ethylsulfanyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-ethylsulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-ethyl-5-ethylsulfanyl-1,2,4-triazole CAS Name: 4-ethyl-3-(ethylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-ethyl-5-ethylsulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-ethyl-5-(ethylthio)-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC)CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC)CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3S/c1-3-16-12(14-15-13(16)17-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3