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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C22H21ClN6O4S MolecularWeight: 500.95794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN6O4S/c1-3-10-28-19(12-20(30)25-16-5-4-14(2)18(23)11-16)26-27-22(28)34-13-21(31)24-15-6-8-17(9-7-15)29(32)33/h3-9,11H,1,10,12-13H2,2H3,(H,24,31)(H,25,30)