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

Systemtic Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-[(4-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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