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

Systemtic Name: 1-(4-ethoxyphenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 1-(4-ethoxyphenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-p-phenetyl-ethanone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-3-25-17-11-9-16(10-12-17)18(24)14-26-20-22-21-19(23(20)2)13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3