1-(3,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=CN2CCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=CN2CCOC)C

InChI

InChI=1S/C16H21N3O2S/c1-11-5-6-14(9-12(11)2)15(20)13(3)22-16-18-17-10-19(16)7-8-21-4/h5-6,9-10,13H,7-8H2,1-4H3