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

Systemtic Name: 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-3,5-dinitro-benzamide CAS Name: 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-3,5-dinitro-benzamide Formula: C14H15N5O5S MolecularWeight: 365.3644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O5S/c1-7(2)4-12-16-17-14(25-12)15-13(20)10-5-9(18(21)22)6-11(8(10)3)19(23)24/h5-7H,4H2,1-3H3,(H,15,17,20)