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

Systemtic Name: 4-chloranyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-(5-tert-amyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-nitro-benzamide Formula: C14H15ClN4O3S MolecularWeight: 354.8119

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O3S/c1-4-14(2,3)12-17-18-13(23-12)16-11(20)8-5-6-9(15)10(7-8)19(21)22/h5-7H,4H2,1-3H3,(H,16,18,20)