2-[[4-azanyl-5-[2,5-bis(chloranyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-[2,5-bis(chloranyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propionamide Formula: C17H14Cl2N6O3S MolecularWeight: 453.30246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2N6O3S/c1-9(16(26)21-11-3-2-4-12(8-11)25(27)28)29-17-23-22-15(24(17)20)13-7-10(18)5-6-14(13)19/h2-9H,20H2,1H3,(H,21,26)