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

Systemtic Name: 1-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)C

InChI

InChI=1S/C19H19N3OS/c1-13-4-8-16(9-5-13)18-20-21-19(24-12-15(3)23)22(18)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3