4-ethoxy-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-ethoxy-N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-4-28-17-10-9-15(11-16(17)24(26)27)18(25)21-20-23-22-19(29-20)14-7-5-13(6-8-14)12(2)3/h5-12H,4H2,1-3H3,(H,21,23,25)