5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole

Systemtic Name: 5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-isopropyl-tetrazole CAS Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-propan-2-yltetrazole IUPAC Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-propan-2-yltetrazole Traditional Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-isopropyl-tetrazole Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C12H13ClN4O2S/c1-7(2)17-12(14-15-16-17)20-5-8-3-9(13)11-10(4-8)18-6-19-11/h3-4,7H,5-6H2,1-2H3