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

Systemtic Name: ethyl 2-[4-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(4-keto-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H17N5O3S/c1-3-24-14(22)8-13-19-20-16(21(13)2)25-9-12-17-11-7-5-4-6-10(11)15(23)18-12/h4-7H,3,8-9H2,1-2H3,(H,17,18,23)