2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methylpropyl)phenyl]ethanone

Systemtic Name: 2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methylpropyl)phenyl]ethanone Openeye Name: 1-(4-isobutylphenyl)-2-[[4-methyl-5-(2-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-methyl-5-(2-naphthalenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-methylpropyl)phenyl]ethanone IUPAC Name: 2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methylpropyl)phenyl]ethanone Traditional Name: 1-(4-isobutylphenyl)-2-[[4-methyl-5-(2-naphthyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N3OS/c1-17(2)14-18-8-10-20(11-9-18)23(29)16-30-25-27-26-24(28(25)3)22-13-12-19-6-4-5-7-21(19)15-22/h4-13,15,17H,14,16H2,1-3H3