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

Systemtic Name: 3-methoxy-1-methyl-N-[5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Openeye Name: 3-methoxy-1-methyl-N-[5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide CAS Name: 3-methoxy-1-methyl-N-[5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 3-methoxy-1-methyl-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Traditional Name: N-[5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C16H15N7O5S2 MolecularWeight: 449.4642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O5S2/c1-22-7-11(14(21-22)28-2)13(25)18-15-19-20-16(30-15)29-8-12(24)17-9-3-5-10(6-4-9)23(26)27/h3-7H,8H2,1-2H3,(H,17,24)(H,18,19,25)