N-(oxolan-2-ylmethyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(oxolan-2-ylmethyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: N-(2-oxolanylmethyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(tetrahydrofurfuryl)propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCO1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)NCC1CCCO1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O2S/c1-16(21(28)24-14-19-8-5-13-29-19)30-22-26-25-20(18-9-11-23-12-10-18)27(22)15-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,19H,5,8,13-15H2,1H3,(H,24,28)