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

Systemtic Name: 3,3-dimethyl-1-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 1-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 1-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-21(2,3)18(25)15-26-20-23-22-19(17-12-8-5-9-13-17)24(20)14-16-10-6-4-7-11-16/h4-13H,14-15H2,1-3H3