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

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-5-cyclohexyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-5-cyclohexyl-1,2,4-triazol-4-yl]amine Formula: C20H24ClN5S MolecularWeight: 401.95606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3N)C4CCCCC4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3N)C4CCCCC4)Cl)C

InChI

InChI=1S/C20H24ClN5S/c1-12-8-9-15-10-16(18(21)23-17(15)13(12)2)11-27-20-25-24-19(26(20)22)14-6-4-3-5-7-14/h8-10,14H,3-7,11,22H2,1-2H3