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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

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