3-[5-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)CCC(=O)N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)CCC(=O)N)Cl)C

InChI

InChI=1S/C18H20ClN5OS/c1-10-4-5-12-8-13(17(19)21-16(12)11(10)2)9-26-18-23-22-15(24(18)3)7-6-14(20)25/h4-5,8H,6-7,9H2,1-3H3,(H2,20,25)