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

Systemtic Name: N-cycloheptyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: N-cycloheptyl-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide Traditional Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-18(23(30)26-21-13-7-2-3-8-14-21)31-24-28-27-22(20-12-9-15-25-16-20)29(24)17-19-10-5-4-6-11-19/h4-6,9-12,15-16,18,21H,2-3,7-8,13-14,17H2,1H3,(H,26,30)