(2R)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1S[C@H](C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5OS/c1-2-14-27-20(18-10-12-23-13-11-18)24-25-22(27)29-19(17-8-4-3-5-9-17)21(28)26-15-6-7-16-26/h2-5,8-13,19H,1,6-7,14-16H2/t19-/m1/s1