4-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-4-11-15-16-13(22-11)14-12(19)8-5-6-9(17(2)3)10(7-8)18(20)21/h5-7H,4H2,1-3H3,(H,14,16,19)