2-chloranyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN4O3S/c1-7(2)5-11-16-17-13(22-11)15-12(19)9-6-8(18(20)21)3-4-10(9)14/h3-4,6-7H,5H2,1-2H3,(H,15,17,19)