1-[2-(1-adamantylcarbonylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-(1-adamantylcarbonylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-(adamantane-1-carbonylamino)ethyl]-N-[1-(2-thienyl)ethyl]triazole-4-carboxamide CAS Name: 1-[2-[[1-adamantyl(oxo)methyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)-4-triazolecarboxamide IUPAC Name: 1-[2-(adamantane-1-carbonylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide Traditional Name: 1-[2-(adamantane-1-carbonylamino)ethyl]-N-[1-(2-thienyl)ethyl]triazole-4-carboxamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CN(N=N2)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)C2=CN(N=N2)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N5O2S/c1-14(19-3-2-6-30-19)24-20(28)18-13-27(26-25-18)5-4-23-21(29)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-3,6,13-17H,4-5,7-12H2,1H3,(H,23,29)(H,24,28)