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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropyl-thiazole-4-carboxamide CAS Name: 2-[[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-N-cyclopropyl-4-thiazolecarboxamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-cyclopropyl-thiazole-4-carboxamide Formula: C21H17ClN6OS2 MolecularWeight: 468.98228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C21H17ClN6OS2/c22-14-2-1-3-16(10-14)28-19(13-6-8-23-9-7-13)26-27-21(28)31-12-18-25-17(11-30-18)20(29)24-15-4-5-15/h1-3,6-11,15H,4-5,12H2,(H,24,29)