5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-cyclopropyl-1,2,3,4-tetrazole

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-cyclopropyl-1,2,3,4-tetrazole Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-cyclopropyl-tetrazole CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-1-cyclopropyltetrazole IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-cyclopropyltetrazole Traditional Name: 1-cyclopropyl-5-(piperonylthio)tetrazole Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C12H12N4O2S/c1-4-10-11(18-7-17-10)5-8(1)6-19-12-13-14-15-16(12)9-2-3-9/h1,4-5,9H,2-3,6-7H2