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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H17N5O4S2/c1-21-16(14-4-3-8-27-14)19-20-17(21)28-9-7-15(23)18-12-6-5-11(26-2)10-13(12)22(24)25/h3-6,8,10H,7,9H2,1-2H3,(H,18,23)