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

Systemtic Name: 2-methoxy-N-[5-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-methoxy-N-[5-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-methoxy-N-[5-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-methoxy-N-[5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Formula: C18H15N5O5S2 MolecularWeight: 445.4722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S2/c1-28-14-8-3-2-7-13(14)16(25)20-17-21-22-18(30-17)29-10-15(24)19-11-5-4-6-12(9-11)23(26)27/h2-9H,10H2,1H3,(H,19,24)(H,20,21,25)