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

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[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)SCCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-14-4-8-17(9-5-14)19-21-22-20(25-13-12-16(3)24)23(19)18-10-6-15(2)7-11-18/h4-11H,12-13H2,1-3H3