5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(3-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(3-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazole Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(3-chloro-4-methyl-phenyl)tetrazole CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-1-(3-chloro-4-methylphenyl)tetrazole IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(3-chloro-4-methylphenyl)tetrazole Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-(piperonylthio)tetrazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C16H13ClN4O2S/c1-10-2-4-12(7-13(10)17)21-16(18-19-20-21)24-8-11-3-5-14-15(6-11)23-9-22-14/h2-7H,8-9H2,1H3