N-(4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-(4-fluorophenyl)-2-[[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-(4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(4-fluorophenyl)-2-[[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C27H22FN5O2S2 MolecularWeight: 531.624283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NC4=CC=C(C=C4)F)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NC4=CC=C(C=C4)F)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H22FN5O2S2/c1-17-6-12-21(13-7-17)33-25(18-4-3-5-22(14-18)35-2)31-32-27(33)37-16-24-30-23(15-36-24)26(34)29-20-10-8-19(28)9-11-20/h3-15H,16H2,1-2H3,(H,29,34)