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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-phenyl-1,3,4-thiadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-phenyl-1,3,4-thiadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-3-phenyl-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-phenyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-phenyl-5-(piperonylthio)-1,3,4-thiadiazole-2-thione Formula: C16H12N2O2S3 MolecularWeight: 360.47368

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN(C(=S)S3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN(C(=S)S3)C4=CC=CC=C4

InChI

InChI=1S/C16H12N2O2S3/c21-16-18(12-4-2-1-3-5-12)17-15(23-16)22-9-11-6-7-13-14(8-11)20-10-19-13/h1-8H,9-10H2