2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-propanamide Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)propanamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)propionamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=C(N3N)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=C(N3N)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN5OS/c1-13(20(28)24-16-11-10-14-6-2-3-7-15(14)12-16)29-21-26-25-19(27(21)23)17-8-4-5-9-18(17)22/h2-13H,23H2,1H3,(H,24,28)