2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4)C

InChI

InChI=1S/C18H21N3OS/c1-11-3-4-14(9-12(11)2)16(22)10-23-18-20-19-17(13-5-6-13)21(18)15-7-8-15/h3-4,9,13,15H,5-8,10H2,1-2H3