N-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)C4=CC=CN4C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)C4=CC=CN4C

InChI

InChI=1S/C25H25N5O3S/c1-17-9-7-10-18(2)23(17)33-15-21-27-28-25(30(21)19-11-5-4-6-12-19)34-16-22(31)26-24(32)20-13-8-14-29(20)3/h4-14H,15-16H2,1-3H3,(H,26,31,32)