1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O2S/c1-15(24)14-26-20-22-21-19(17-8-10-18(25-2)11-9-17)23(20)13-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3