2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-(3-chlorophenyl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[4-(3-chlorophenyl)-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C23H20ClN7O3S2 MolecularWeight: 542.033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H20ClN7O3S2/c1-14-9-15(2)26-22(25-14)35-12-20-28-29-23(30(20)18-7-3-5-16(24)10-18)36-13-21(32)27-17-6-4-8-19(11-17)31(33)34/h3-11H,12-13H2,1-2H3,(H,27,32)