N-[5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[[2-(diethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C15H17N5O4S2 MolecularWeight: 395.45658

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S2/c1-3-19(4-2)12(21)9-25-15-18-17-14(26-15)16-13(22)10-6-5-7-11(8-10)20(23)24/h5-8H,3-4,9H2,1-2H3,(H,16,17,22)