ethyl 2-[5-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O3S/c1-3-25-14(23)7-13-20-21-16(22(13)2)26-8-12-18-11-5-4-9(17)6-10(11)15(24)19-12/h4-6H,3,7-8H2,1-2H3,(H,18,19,24)