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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C15H13ClN6O3S2 MolecularWeight: 424.88512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C15H13ClN6O3S2/c1-8(14(23)18-11-7-9(22(24)25)4-5-10(11)16)27-15-20-19-13(21(15)17)12-3-2-6-26-12/h2-8H,17H2,1H3,(H,18,23)