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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H19N5O4S2/c1-4-22-16(15-6-5-9-28-15)20-21-18(22)29-11(2)17(24)19-13-8-7-12(27-3)10-14(13)23(25)26/h5-11H,4H2,1-3H3,(H,19,24)