4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzamide Formula: C16H12FN5O3S2 MolecularWeight: 405.426583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FN5O3S2/c17-11-4-1-9(2-5-11)8-19-15-20-21-16(27-15)26-13-6-3-10(14(18)23)7-12(13)22(24)25/h1-7H,8H2,(H2,18,23)(H,19,20)