2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-propanamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-propionamide Formula: C14H17ClN4OS MolecularWeight: 324.82898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H17ClN4OS/c1-9(2)17-13(20)10(3)21-14-18-16-8-19(14)12-6-4-5-11(15)7-12/h4-10H,1-3H3,(H,17,20)