N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(oxolan-2-ylmethyl)benzotriazole-5-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(oxolan-2-ylmethyl)benzotriazole-5-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(tetrahydrofuran-2-ylmethyl)benzotriazole-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(2-oxolanylmethyl)-5-benzotriazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(oxolan-2-ylmethyl)benzotriazole-5-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(tetrahydrofurfuryl)benzotriazole-5-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N(CC3CCCO3)C4=NC5=CC=CC=C5S4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N(CC3CCCO3)C4=NC5=CC=CC=C5S4)N=N1

InChI

InChI=1S/C21H21N5O2S/c1-2-26-18-10-9-14(12-17(18)23-24-26)20(27)25(13-15-6-5-11-28-15)21-22-16-7-3-4-8-19(16)29-21/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3