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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O3S/c1-14(2,3)7-11-17-18-13(23-11)16-12(20)8-4-5-9(15)10(6-8)19(21)22/h4-6H,7H2,1-3H3,(H,16,18,20)