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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-tetrazole CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-1-phenyltetrazole IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole Traditional Name: 1-phenyl-5-(piperonylthio)tetrazole Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C15H12N4O2S/c1-2-4-12(5-3-1)19-15(16-17-18-19)22-9-11-6-7-13-14(8-11)21-10-20-13/h1-8H,9-10H2