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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C18H17ClN6O3S MolecularWeight: 432.88398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN6O3S/c1-10-7-14(15(25(27)28)8-11(10)2)21-16(26)9-29-18-23-22-17(24(18)20)12-3-5-13(19)6-4-12/h3-8H,9,20H2,1-2H3,(H,21,26)