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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3OS/c1-13-9-10-16(11-14(13)2)18(23)15(3)24-19-21-20-12-22(19)17-7-5-4-6-8-17/h4-12,15H,1-3H3