N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: 1-(3-nitrobenzoyl)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: 1-(3-nitrobenzoyl)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-13-7-9-14(10-8-13)19-23-24-21(31-19)22-18(27)17-6-3-11-25(17)20(28)15-4-2-5-16(12-15)26(29)30/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,22,24,27)