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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-12-18-17(20-19-12)23-11-16(21)13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19,20)