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

Systemtic Name: N-[5-[1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[1-(3-chloro-4-methyl-phenyl)-5-oxo-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[1-(3-chloro-4-methyl-phenyl)-5-keto-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C20H16ClN5O4S MolecularWeight: 457.89014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O4S/c1-11-2-5-15(9-16(11)21)25-10-13(8-17(25)27)19-23-24-20(31-19)22-18(28)12-3-6-14(7-4-12)26(29)30/h2-7,9,13H,8,10H2,1H3,(H,22,24,28)