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

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-1-ethyl-benzotriazole-5-carboxamide Formula: C19H16BrN5OS MolecularWeight: 442.33224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br)N=N1

InChI

InChI=1S/C19H16BrN5OS/c1-2-25-17-8-5-13(10-16(17)23-24-25)18(26)22-19-21-11-15(27-19)9-12-3-6-14(20)7-4-12/h3-8,10-11H,2,9H2,1H3,(H,21,22,26)