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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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