S-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methyl] ethanethioate

Systemtic Name: S-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methyl] ethanethioate Openeye Name: S-[(5-methyl-2-phenyl-triazol-4-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(5-methyl-2-phenyl-4-triazolyl)methyl] ester IUPAC Name: S-[(5-methyl-2-phenyltriazol-4-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(5-methyl-2-phenyl-triazol-4-yl)methyl] ester Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CSC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1CSC(=O)C)C2=CC=CC=C2

InChI

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