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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C=NN=C1SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3OS/c1-14-8-12-13-11(14)16-7-10(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3