2-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-N-(oxolan-2-ylmethyl)-1-pyridin-3-yl-2-thiophen-2-yl-ethanamine

Systemtic Name: 2-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-N-(oxolan-2-ylmethyl)-1-pyridin-3-yl-2-thiophen-2-yl-ethanamine Openeye Name: 2-(1-tert-butyltetrazol-5-yl)-1-(3-pyridyl)-N-(tetrahydrofuran-2-ylmethyl)-2-(2-thienyl)ethanamine CAS Name: 2-(1-tert-butyl-5-tetrazolyl)-N-(2-oxolanylmethyl)-1-(3-pyridinyl)-2-thiophen-2-ylethanamine IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)-1-pyridin-3-yl-2-thiophen-2-ylethanamine Traditional Name: [2-(1-tert-butyltetrazol-5-yl)-1-(3-pyridyl)-2-(2-thienyl)ethyl]-(tetrahydrofurfuryl)amine Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)C(C3=CN=CC=C3)NCC4CCCO4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)C(C3=CN=CC=C3)NCC4CCCO4

InChI

InChI=1S/C21H28N6OS/c1-21(2,3)27-20(24-25-26-27)18(17-9-6-12-29-17)19(15-7-4-10-22-13-15)23-14-16-8-5-11-28-16/h4,6-7,9-10,12-13,16,18-19,23H,5,8,11,14H2,1-3H3