N-(4,5-dimethyl-2-nitro-phenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H15N5O3S2 MolecularWeight: 389.452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H15N5O3S2/c1-9-6-11(12(21(23)24)7-10(9)2)17-14(22)8-26-16-18-15(19-20-16)13-4-3-5-25-13/h3-7H,8H2,1-2H3,(H,17,22)(H,18,19,20)