N-cyclopentyl-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclopentyl-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentyl-acetamide CAS Name: N-cyclopentyl-2-[[5-(phenylmethyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-cyclopentyl-acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c26-19(21-17-10-4-5-11-17)15-27-20-23-22-18(14-16-8-2-1-3-9-16)25(20)24-12-6-7-13-24/h1-3,6-9,12-13,17H,4-5,10-11,14-15H2,(H,21,26)