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

Systemtic Name: 4-(dimethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C13H15N5O3S2 MolecularWeight: 353.4199

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S2/c1-4-22-13-16-15-12(23-13)14-11(19)8-5-6-9(17(2)3)10(7-8)18(20)21/h5-7H,4H2,1-3H3,(H,14,15,19)