1-(1-methyl-5-phenylsulfanyl-1,2,3-triazol-4-yl)ethanone

Systemtic Name: 1-(1-methyl-5-phenylsulfanyl-1,2,3-triazol-4-yl)ethanone Openeye Name: 1-(1-methyl-5-phenylsulfanyl-triazol-4-yl)ethanone CAS Name: 1-[1-methyl-5-(phenylthio)-4-triazolyl]ethanone IUPAC Name: 1-(1-methyl-5-phenylsulfanyltriazol-4-yl)ethanone Traditional Name: 1-[1-methyl-5-(phenylthio)triazol-4-yl]ethanone Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(N=N1)C)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=C(N(N=N1)C)SC2=CC=CC=C2

InChI

InChI=1S/C11H11N3OS/c1-8(15)10-11(14(2)13-12-10)16-9-6-4-3-5-7-9/h3-7H,1-2H3