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

Systemtic Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C17H14FN5O3S2 MolecularWeight: 419.453163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C17H14FN5O3S2/c18-13-5-1-10(2-6-13)8-20-16-21-22-17(28-16)27-9-12-4-3-11(15(19)24)7-14(12)23(25)26/h1-7H,8-9H2,(H2,19,24)(H,20,21)