5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-phenyl-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-phenyl-1,3,4-thiadiazole-2-thione Formula: C17H13BrN2O2S3 MolecularWeight: 453.39632

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN(C(=S)S3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN(C(=S)S3)C4=CC=CC=C4

InChI

InChI=1S/C17H13BrN2O2S3/c18-13-9-15-14(21-6-7-22-15)8-11(13)10-24-16-19-20(17(23)25-16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2