N-(3,4-dimethylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-(3,4-dimethylphenyl)-2-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C26H22N6OS2 MolecularWeight: 498.62248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C26H22N6OS2/c1-17-8-9-20(14-18(17)2)28-25(33)22-15-34-23(29-22)16-35-26-31-30-24(19-10-12-27-13-11-19)32(26)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,28,33)