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

Systemtic Name: N-[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[[2-keto-2-(p-phenetidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C19H17N5O5S2 MolecularWeight: 459.49878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S2/c1-2-29-15-9-5-13(6-10-15)20-16(25)11-30-19-23-22-18(31-19)21-17(26)12-3-7-14(8-4-12)24(27)28/h3-10H,2,11H2,1H3,(H,20,25)(H,21,22,26)