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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-4-23-19(17-8-6-5-7-9-17)21-22-20(23)25-15(3)18(24)16-12-10-14(2)11-13-16/h5-13,15H,4H2,1-3H3