1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-prop-2-enyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-prop-2-enyl-1,2,3-triazole-4-carboxamide Openeye Name: N-allyl-1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-triazole-4-carboxamide CAS Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-prop-2-enyl-4-triazolecarboxamide IUPAC Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-prop-2-enyltriazole-4-carboxamide Traditional Name: N-allyl-1-[3-(4-bromophenyl)anthranil-5-yl]-5-methyl-triazole-4-carboxamide Formula: C20H16BrN5O2 MolecularWeight: 438.27734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C(=O)NCC=C

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C(=O)NCC=C

InChI

InChI=1S/C20H16BrN5O2/c1-3-10-22-20(27)18-12(2)26(25-23-18)15-8-9-17-16(11-15)19(28-24-17)13-4-6-14(21)7-5-13/h3-9,11H,1,10H2,2H3,(H,22,27)