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

Systemtic Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-[(3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5S/c1-31-16-8-3-5-13(12-16)19-23-24-21(32-19)22-18(27)17-9-4-10-25(17)20(28)14-6-2-7-15(11-14)26(29)30/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,22,24,27)