3-[[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C25H25ClN4O3S MolecularWeight: 497.009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C=O)OC)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C=O)OC)C)Cl

InChI

InChI=1S/C25H25ClN4O3S/c1-16-23(26)17(2)30(28-16)12-6-11-29-24(32)20-7-4-5-8-21(20)27-25(29)34-15-19-13-18(14-31)9-10-22(19)33-3/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3