2-cyano-N-(2-ethoxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]prop-2-enamide

Systemtic Name: 2-cyano-N-(2-ethoxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]prop-2-enamide Openeye Name: 2-cyano-N-(2-ethoxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]prop-2-enamide CAS Name: 2-cyano-N-(2-ethoxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: 2-cyano-N-(2-ethoxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide Traditional Name: 2-cyano-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-N-o-phenetyl-acrylamide Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H18N6O4S/c1-3-31-18-7-5-4-6-16(18)24-20(28)15(12-22)10-14-8-9-19(17(11-14)27(29)30)32-21-25-23-13-26(21)2/h4-11,13H,3H2,1-2H3,(H,24,28)