N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-fluoranyl-4-methyl-5-nitro-benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-fluoranyl-4-methyl-5-nitro-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methyl-5-nitro-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methyl-5-nitrobenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methyl-5-nitrobenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methyl-5-nitro-benzamide Formula: C18H12FN5O3S2 MolecularWeight: 429.447983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12FN5O3S2/c1-10-14(19)6-13(7-15(10)24(26)27)16(25)21-17-22-23-18(29-17)28-9-12-4-2-11(8-20)3-5-12/h2-7H,9H2,1H3,(H,21,22,25)