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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-fluorophenyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-fluorophenyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-3-(4-fluorophenyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-fluorophenyl)-1,3,4-thiadiazole-2-thione Traditional Name: 3-(4-fluorophenyl)-5-(piperonylthio)-1,3,4-thiadiazole-2-thione Formula: C16H11FN2O2S3 MolecularWeight: 378.464143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN2O2S3/c17-11-2-4-12(5-3-11)19-16(22)24-15(18-19)23-8-10-1-6-13-14(7-10)21-9-20-13/h1-7H,8-9H2