1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone

Systemtic Name: 1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone Openeye Name: 1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone CAS Name: 1-[3-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-2,4,6-trimethylphenyl]ethanone IUPAC Name: 1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone Traditional Name: 1-[3-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-2,4,6-trimethyl-phenyl]ethanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C3CC3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C3CC3)N4CCCC4)C

InChI

InChI=1S/C21H28N4OS/c1-13-11-14(2)19(16(4)26)15(3)18(13)12-27-21-23-22-20(24-9-5-6-10-24)25(21)17-7-8-17/h11,17H,5-10,12H2,1-4H3