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

Systemtic Name: 1-phenyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-butan-1-one CAS Name: 1-phenyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-butan-1-one Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c29-23(21-13-6-2-7-14-21)17-10-18-30-25-27-26-24(19-20-11-4-1-5-12-20)28(25)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2