1-(4-methyl-3-nitro-phenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C15H12N4O3S2 MolecularWeight: 360.41078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O3S2/c1-9-4-5-10(7-11(9)19(21)22)12(20)8-24-15-16-14(17-18-15)13-3-2-6-23-13/h2-7H,8H2,1H3,(H,16,17,18)