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

Systemtic Name: N-butan-2-yl-2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-sec-butyl-thiazole-4-carboxamide CAS Name: N-butan-2-yl-2-[[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-butan-2-yl-2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-sec-butyl-thiazole-4-carboxamide Formula: C22H21ClN6OS2 MolecularWeight: 485.02474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3Cl)C4=CC=NC=C4

Isomeric SMILES

CCC(C)NC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3Cl)C4=CC=NC=C4

InChI

InChI=1S/C22H21ClN6OS2/c1-3-14(2)25-21(30)17-12-31-19(26-17)13-32-22-28-27-20(15-8-10-24-11-9-15)29(22)18-7-5-4-6-16(18)23/h4-12,14H,3,13H2,1-2H3,(H,25,30)