4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole

Systemtic Name: 4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole Openeye Name: 4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2-thienyl)thiazole CAS Name: 4-[[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophen-2-ylthiazole IUPAC Name: 4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole Traditional Name: 4-[[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(2-thienyl)thiazole Formula: C21H21N5S3 MolecularWeight: 439.61994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CSC(=N4)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CSC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H21N5S3/c1-2-7-17(8-3-1)26-19(13-25-10-4-5-11-25)23-24-21(26)29-15-16-14-28-20(22-16)18-9-6-12-27-18/h1-3,6-9,12,14H,4-5,10-11,13,15H2