2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C23H27N5OS/c1-16-14-20(17(2)27(16)18-8-4-3-5-9-18)21(29)15-30-23-25-24-22(26-12-6-7-13-26)28(23)19-10-11-19/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3