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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O2S/c1-4-7-15-10-12-16(13-11-15)18(25)14-27-21-23-22-20(24(21)2)17-8-5-6-9-19(17)26-3/h5-6,8-13H,4,7,14H2,1-3H3