2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[(5-benzyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylphenyl)ethanone Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS/c1-19(2)29-25(17-20-9-5-3-6-10-20)27-28-26(29)31-18-24(30)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3