5-[(Z)-1-chloranyl-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(Z)-1-chloranyl-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(Z)-1-chloro-2-(4-isopropyl-3-nitro-phenyl)vinyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(Z)-1-chloro-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(Z)-1-chloro-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(Z)-1-chloro-2-(4-isopropyl-3-nitro-phenyl)vinyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C2=NN=C(S2)C(=O)NC3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(/C2=NN=C(S2)C(=O)NC3=CC=CC=C3)\Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O3S/c1-12(2)15-9-8-13(11-17(15)25(27)28)10-16(21)19-23-24-20(29-19)18(26)22-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,26)/b16-10-