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

Systemtic Name: N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]triazole-4-carboxamide CAS Name: N-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]triazole-4-carboxamide Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN5OS/c1-13-18(15-7-9-16(21)10-8-15)22-20(28-13)23-19(27)17-12-26(25-24-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,27)