(2R)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide

Systemtic Name: (2R)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide Openeye Name: (2R)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: (2R)-2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptylpropanamide IUPAC Name: (2R)-2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylpropanamide Traditional Name: (2R)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H29N5OS/c1-16(22(29)25-19-12-4-2-3-5-13-19)30-23-27-26-21(28(23)24)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,16,19H,2-5,12-13,15,24H2,1H3,(H,25,29)/t16-/m1/s1