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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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