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

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 1-(4-isopropylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-p-cumenyl-ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

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