3-[[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-oxo-2-quinazolinyl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C22H19ClN4O3S/c1-30-20-7-6-15(13-28)10-16(20)14-31-22-25-19-5-3-2-4-18(19)21(29)27(22)9-8-26-12-17(23)11-24-26/h2-7,10-13H,8-9,14H2,1H3