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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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