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

Systemtic Name: 5-(2,4-dinitrophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-(2,4-dinitrophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2,4-dinitrophenyl)thio]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2,4-dinitrophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2,4-dinitrophenyl)thio]-1,3,4-thiadiazol-2-yl]-(4-fluorobenzyl)amine Formula: C15H10FN5O4S2 MolecularWeight: 407.399403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C15H10FN5O4S2/c16-10-3-1-9(2-4-10)8-17-14-18-19-15(27-14)26-13-6-5-11(20(22)23)7-12(13)21(24)25/h1-7H,8H2,(H,17,18)