N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloranyl-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN4O3S/c1-2-3-4-11-16-17-13(22-11)15-12(19)9-6-5-8(18(20)21)7-10(9)14/h5-7H,2-4H2,1H3,(H,15,17,19)