N-cyclohexyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-cyclohexyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: N-cyclohexyl-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-cyclohexyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-propionamide Formula: C19H25N5OS MolecularWeight: 371.4997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C19H25N5OS/c1-3-12-24-17(15-8-7-11-20-13-15)22-23-19(24)26-14(2)18(25)21-16-9-5-4-6-10-16/h3,7-8,11,13-14,16H,1,4-6,9-10,12H2,2H3,(H,21,25)