[1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-[(2-methyl-4-quinolyl)carbamoyl]propyl 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid 1-[(2-methyl-4-quinolyl)carbamoyl]propyl ester Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

InChI

InChI=1S/C25H25N5O3S/c1-5-22(23(31)27-21-14-15(2)26-20-9-7-6-8-19(20)21)33-24(32)17-10-12-18(13-11-17)30-16(3)28-29-25(30)34-4/h6-14,22H,5H2,1-4H3,(H,26,27,31)