3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C18H21ClN4O2S MolecularWeight: 392.90294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=O)N3CCCOC)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=O)N3CCCOC)Cl)C

InChI

InChI=1S/C18H21ClN4O2S/c1-11-5-6-13-9-14(16(19)20-15(13)12(11)2)10-26-18-22-21-17(24)23(18)7-4-8-25-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,24)