5-[(5-chloranyl-4H-1,3-benzodioxin-7-yl)methylsulfanyl]-1-(4-methylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-[(5-chloranyl-4H-1,3-benzodioxin-7-yl)methylsulfanyl]-1-(4-methylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-[(5-chloro-4H-1,3-benzodioxin-7-yl)methylsulfanyl]-1-(p-tolyl)tetrazole CAS Name: 5-[(5-chloro-4H-1,3-benzodioxin-7-yl)methylthio]-1-(4-methylphenyl)tetrazole IUPAC Name: 5-[(5-chloro-4H-1,3-benzodioxin-7-yl)methylsulfanyl]-1-(4-methylphenyl)tetrazole Traditional Name: 5-[(5-chloro-4H-1,3-benzodioxin-7-yl)methylthio]-1-(p-tolyl)tetrazole Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(COCO4)C(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(COCO4)C(=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-11-2-4-13(5-3-11)22-17(19-20-21-22)25-9-12-6-15(18)14-8-23-10-24-16(14)7-12/h2-7H,8-10H2,1H3