2-[5-[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[5-[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-allyl-5-[2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[5-[[2-(4-chloro-3-nitrophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[5-[2-(4-chloro-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-allyl-5-[[2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H22ClN5O4S MolecularWeight: 499.96988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C23H22ClN5O4S/c1-4-10-28-21(12-22(31)25-18-7-5-6-14(2)15(18)3)26-27-23(28)34-13-20(30)16-8-9-17(24)19(11-16)29(32)33/h4-9,11H,1,10,12-13H2,2-3H3,(H,25,31)