2-[5-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[5-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N6O5S/c1-25-17(11-18(27)21-13-6-4-3-5-7-13)23-24-20(25)32-12-19(28)22-15-9-8-14(31-2)10-16(15)26(29)30/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,28)