N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-nitro-2-pyrrolidino-benzamide Formula: C20H18FN5O3S2 MolecularWeight: 459.517023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN5O3S2/c21-14-5-3-13(4-6-14)12-30-20-24-23-19(31-20)22-18(27)16-11-15(26(28)29)7-8-17(16)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12H2,(H,22,23,27)