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

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-propanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)propanamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)propanamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)propionamide Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4OS/c1-14(20(27)24-18-10-9-15-5-2-3-6-16(15)11-18)28-21-25-23-13-26(21)19-8-4-7-17(22)12-19/h2-14H,1H3,(H,24,27)