2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)-1-propanone IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)propan-1-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC(=C(C=C2)C)C)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC(=C(C=C2)C)C)C3CC3

InChI

InChI=1S/C18H23N3OS/c1-5-21-17(14-8-9-14)19-20-18(21)23-13(4)16(22)15-7-6-11(2)12(3)10-15/h6-7,10,13-14H,5,8-9H2,1-4H3