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

Systemtic Name: 2-cyano-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-N-phenethyl-prop-2-enamide Openeye Name: 2-cyano-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-N-phenethyl-prop-2-enamide CAS Name: 2-cyano-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-N-phenethyl-2-propenamide IUPAC Name: 2-cyano-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-N-phenethylprop-2-enamide Traditional Name: 2-cyano-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-N-phenethyl-acrylamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O3S/c1-26-14-24-25-21(26)31-19-8-7-16(12-18(19)27(29)30)11-17(13-22)20(28)23-10-9-15-5-3-2-4-6-15/h2-8,11-12,14H,9-10H2,1H3,(H,23,28)