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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3OC

InChI

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