3-[(2-nitrophenyl)amino]-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-[(2-nitrophenyl)amino]-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitroanilino)propanamide CAS Name: 3-(2-nitroanilino)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(2-nitroanilino)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(2-nitroanilino)-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-13(2)14-7-9-15(10-8-14)19-23-24-20(29-19)22-18(26)11-12-21-16-5-3-4-6-17(16)25(27)28/h3-10,13,21H,11-12H2,1-2H3,(H,22,24,26)