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

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)ethanone CAS Name: 1-(4-ethylphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylphenyl)ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C

InChI

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