N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Formula: C16H17N5O5S MolecularWeight: 391.40168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5S/c1-9-12(20(23)24)7-11(8-13(9)21(25)26)14(22)17-16-19-18-15(27-16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,19,22)