methyl 2-[4-azanylidene-3-(4-chlorophenyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-azanylidene-3-(4-chlorophenyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(4-chlorophenyl)-4-imino-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-chlorophenyl)-4-imino-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-chlorophenyl)-4-iminoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(4-chlorophenyl)-4-imino-quinazolin-2-yl]thio]acetic acid methyl ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=N)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=N)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O2S/c1-23-15(22)10-24-17-20-14-5-3-2-4-13(14)16(19)21(17)12-8-6-11(18)7-9-12/h2-9,19H,10H2,1H3