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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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