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

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5OS/c23-27-20(14-17-10-7-9-16-8-5-6-13-19(16)17)25-26-22(27)29-15-21(28)24-18-11-3-1-2-4-12-18/h5-10,13,18H,1-4,11-12,14-15,23H2,(H,24,28)