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

Systemtic Name: N-butan-2-yl-2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-sec-butyl-thiazole-4-carboxamide CAS Name: N-butan-2-yl-2-[[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-butan-2-yl-2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(3-chlorophenyl)-5-(3-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=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

CCC(C)NC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CN=CC=C4

InChI

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