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

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C18H16ClN5OS MolecularWeight: 385.87054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3N)C4=CC=CO4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3N)C4=CC=CO4)Cl)C

InChI

InChI=1S/C18H16ClN5OS/c1-10-5-6-12-8-13(16(19)21-15(12)11(10)2)9-26-18-23-22-17(24(18)20)14-4-3-7-25-14/h3-8H,9,20H2,1-2H3