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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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