2-[(6-tert-butyl-2-oxidanylidene-1H-quinolin-4-yl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: 2-[(6-tert-butyl-2-oxidanylidene-1H-quinolin-4-yl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[(6-tert-butyl-2-oxo-1H-quinolin-4-yl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide CAS Name: 2-[(6-tert-butyl-2-oxo-1H-quinolin-4-yl)methylamino]-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[(6-tert-butyl-2-oxo-1H-quinolin-4-yl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(6-tert-butyl-2-keto-1H-quinolin-4-yl)methylamino]-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]acetamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)CNCC2=CC(=O)NC3=C2C=C(C=C3)C(C)(C)C)SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)CNCC2=CC(=O)NC3=C2C=C(C=C3)C(C)(C)C)SC

InChI

InChI=1S/C20H26N6O2S/c1-12-23-24-19(29-5)26(12)25-18(28)11-21-10-13-8-17(27)22-16-7-6-14(9-15(13)16)20(2,3)4/h6-9,21H,10-11H2,1-5H3,(H,22,27)(H,25,28)