2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C24H21ClN6O3S MolecularWeight: 508.97994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN6O3S/c1-16-7-12-20(31(33)34)13-21(16)27-23(32)15-35-24-29-28-22(30(24)19-5-3-2-4-6-19)14-26-18-10-8-17(25)9-11-18/h2-13,26H,14-15H2,1H3,(H,27,32)