2-cyano-N-(2,4-dimethylphenyl)-3-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]prop-2-enamide

Systemtic Name: 2-cyano-N-(2,4-dimethylphenyl)-3-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]prop-2-enamide Openeye Name: 2-cyano-N-(2,4-dimethylphenyl)-3-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]prop-2-enamide CAS Name: 2-cyano-N-(2,4-dimethylphenyl)-3-[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)phenyl]-2-propenamide IUPAC Name: 2-cyano-N-(2,4-dimethylphenyl)-3-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]prop-2-enamide Traditional Name: 2-cyano-N-(2,4-dimethylphenyl)-3-[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)phenyl]acrylamide Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=NN3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=NN3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C20H16N6O3S/c1-12-3-5-16(13(2)7-12)24-19(27)15(10-21)8-14-4-6-18(17(9-14)26(28)29)30-20-22-11-23-25-20/h3-9,11H,1-2H3,(H,24,27)(H,22,23,25)