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

Systemtic Name: 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetone Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C

InChI

InChI=1S/C12H13N3OS/c1-9(16)8-17-12-14-13-10(2)15(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3