5-[2-(phenylmethyl)sulfinylethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[2-(phenylmethyl)sulfinylethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-benzylsulfinylethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[2-(phenylmethyl)sulfinylethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-benzylsulfinylethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(2-benzylsulfinylethylthio)-1H-1,2,4-triazole Formula: C11H13N3OS2 MolecularWeight: 267.37042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CCSC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CCSC2=NC=NN2

InChI

InChI=1S/C11H13N3OS2/c15-17(8-10-4-2-1-3-5-10)7-6-16-11-12-9-13-14-11/h1-5,9H,6-8H2,(H,12,13,14)