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

Systemtic Name: N-[5-[1-(3-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[5-[1-(m-tolyl)-5-oxo-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: N-[5-[1-(3-methylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[5-[5-keto-1-(m-tolyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C20H17N5O4S MolecularWeight: 423.44508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4S/c1-12-5-4-6-14(9-12)24-11-13(10-17(24)26)19-22-23-20(30-19)21-18(27)15-7-2-3-8-16(15)25(28)29/h2-9,13H,10-11H2,1H3,(H,21,23,27)