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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-8(2)6-11-15-16-13(21-11)14-12(18)9-4-3-5-10(7-9)17(19)20/h3-5,7-8H,6H2,1-2H3,(H,14,16,18)