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

Systemtic Name: 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-nitro-benzamide CAS Name: 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-nitro-benzamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CC(C)C

InChI

InChI=1S/C14H16N4O3S/c1-8(2)7-11-16-17-14(22-11)15-13(19)10-6-4-5-9(3)12(10)18(20)21/h4-6,8H,7H2,1-3H3,(H,15,17,19)