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

Systemtic Name: N-(2-ethylsulfanylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-ethylsulfanylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide CAS Name: N-[2-(ethylthio)phenyl]-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxamide IUPAC Name: N-(2-ethylsulfanylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide Traditional Name: N-[2-(ethylthio)phenyl]-5-methyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2=C(N(N=N2)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2=C(N(N=N2)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C

InChI

InChI=1S/C25H21N5O2S/c1-3-33-22-12-8-7-11-21(22)26-25(31)23-16(2)30(29-27-23)18-13-14-20-19(15-18)24(32-28-20)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,26,31)