5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-(2-propan-2-ylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-(2-propan-2-ylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-isopropylsulfanylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide CAS Name: 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-[2-(propan-2-ylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-(2-propan-2-ylsulfanylphenyl)triazole-4-carboxamide Traditional Name: N-[2-(isopropylthio)phenyl]-5-methyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5SC(C)C

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5SC(C)C

InChI

InChI=1S/C26H23N5O2S/c1-16(2)34-23-12-8-7-11-22(23)27-26(32)24-17(3)31(30-28-24)19-13-14-21-20(15-19)25(33-29-21)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,27,32)