5-(2,2-dimethoxyethylsulfanyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(2,2-dimethoxyethylsulfanyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(2,2-dimethoxyethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(2,2-dimethoxyethylthio)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(2,2-dimethoxyethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(2,2-dimethoxyethylthio)-1H-1,2,4-triazole Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

COC(CSC1=NC(=NN1)SCC2=CC=CC=C2)OC

Isomeric SMILES

COC(CSC1=NC(=NN1)SCC2=CC=CC=C2)OC

InChI

InChI=1S/C13H17N3O2S2/c1-17-11(18-2)9-20-13-14-12(15-16-13)19-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15,16)