2-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-[[4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-[[4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H16N4O3S2/c1-14-4-8-16(9-5-14)24-20(19-3-2-12-29-19)22-23-21(24)30-13-18(26)15-6-10-17(11-7-15)25(27)28/h2-12H,13H2,1H3