3-[3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-chloro-3-quinolyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-chloro-3-quinolinyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-chloroquinolin-3-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-chloro-3-quinolyl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C19H16ClN5OS2 MolecularWeight: 429.94624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

InChI

InChI=1S/C19H16ClN5OS2/c20-17-13(10-12-4-1-2-5-14(12)22-17)11-28-19-24-23-18(15-6-3-9-27-15)25(19)8-7-16(21)26/h1-6,9-10H,7-8,11H2,(H2,21,26)