[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]-pyrrolidino-methanone Formula: C22H20N6OS2 MolecularWeight: 448.5638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C22H20N6OS2/c29-21(27-11-4-5-12-27)18-14-30-19(24-18)15-31-22-26-25-20(16-7-6-10-23-13-16)28(22)17-8-2-1-3-9-17/h1-3,6-10,13-14H,4-5,11-12,15H2