3-(4-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-(4-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-(4-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-(4-fluorophenyl)-5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-thiadiazole-2-thione Formula: C16H12FN3O2S3 MolecularWeight: 393.478783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H12FN3O2S3/c1-10-11(3-2-4-14(10)20(21)22)9-24-15-18-19(16(23)25-15)13-7-5-12(17)6-8-13/h2-8H,9H2,1H3