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

Systemtic Name: (2R)-N-cycloheptyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H27N5OS/c1-3-14-25-18(16-10-12-21-13-11-16)23-24-20(25)27-15(2)19(26)22-17-8-6-4-5-7-9-17/h3,10-13,15,17H,1,4-9,14H2,2H3,(H,22,26)/t15-/m1/s1