1-ethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[4-(4-propoxyphenyl)thiazol-2-yl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[4-(4-propoxyphenyl)-2-thiazolyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[4-(4-propoxyphenyl)thiazol-2-yl]benzotriazole-5-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N(N=N4)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N(N=N4)CC

InChI

InChI=1S/C21H21N5O2S/c1-3-11-28-16-8-5-14(6-9-16)18-13-29-21(22-18)23-20(27)15-7-10-19-17(12-15)24-25-26(19)4-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,27)