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

Systemtic Name: N-[5-[1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[1-(2-ethylphenyl)-5-oxo-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[1-(2-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[1-(2-ethylphenyl)-5-keto-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-2-13-5-3-4-6-17(13)25-12-15(11-18(25)27)20-23-24-21(31-20)22-19(28)14-7-9-16(10-8-14)26(29)30/h3-10,15H,2,11-12H2,1H3,(H,22,24,28)