N-[(4-fluorophenyl)methyl]-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-fluorophenyl)methyl]-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-fluorophenyl)methyl]-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-fluorophenyl)methyl]-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: (4-fluorobenzyl)-[5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H13FN4O4S3 MolecularWeight: 440.492223

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13FN4O4S3/c1-28(24,25)12-6-7-14(13(8-12)21(22)23)26-16-20-19-15(27-16)18-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,19)