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

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC)Cl)C

InChI

InChI=1S/C21H20ClN5OS/c1-12-4-5-15-10-16(19(22)24-18(15)13(12)2)11-29-21-26-25-20(27(21)23)14-6-8-17(28-3)9-7-14/h4-10H,11,23H2,1-3H3