ethyl 2-[4-methyl-5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC2=NC(=O)C3=C(N2)C(=CC=C3)C

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC2=NC(=O)C3=C(N2)C(=CC=C3)C

InChI

InChI=1S/C17H19N5O3S/c1-4-25-14(23)8-13-20-21-17(22(13)3)26-9-12-18-15-10(2)6-5-7-11(15)16(24)19-12/h5-7H,4,8-9H2,1-3H3,(H,18,19,24)