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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C16H12Cl2N6O3S MolecularWeight: 439.27588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12Cl2N6O3S/c17-10-3-1-9(2-4-10)15-21-22-16(23(15)19)28-8-14(25)20-11-5-6-12(18)13(7-11)24(26)27/h1-7H,8,19H2,(H,20,25)