3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazolin-4-imine

Systemtic Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazolin-4-imine Openeye Name: 3-[(2-chlorophenyl)methyl]-2-[(E)-cinnamyl]sulfanyl-6,7-dimethoxy-quinazolin-4-imine CAS Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-[[(E)-3-phenylprop-2-enyl]thio]-4-quinazolinimine IUPAC Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazolin-4-imine Traditional Name: [3-(2-chlorobenzyl)-2-[[(E)-cinnamyl]thio]-6,7-dimethoxy-quinazolin-4-ylidene]amine Formula: C26H24ClN3O2S MolecularWeight: 478.00566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC=CC3=CC=CC=C3)CC4=CC=CC=C4Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SC/C=C/C3=CC=CC=C3)CC4=CC=CC=C4Cl)OC

InChI

InChI=1S/C26H24ClN3O2S/c1-31-23-15-20-22(16-24(23)32-2)29-26(33-14-8-11-18-9-4-3-5-10-18)30(25(20)28)17-19-12-6-7-13-21(19)27/h3-13,15-16,28H,14,17H2,1-2H3/b11-8+,28-25?