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

Systemtic Name: 1-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-8(17)7-20-12-14-13-11(15(12)2)9-3-5-10(6-4-9)16(18)19/h3-6H,7H2,1-2H3