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

Systemtic Name: 2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c21-16-7-3-6-15(10-16)19-24-25-20(26(19)22)28-12-18(27)23-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12,22H2,(H,23,27)