[(E)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-methylbenzoate

Systemtic Name: [(E)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-methylbenzoate Openeye Name: [(E)-[2-[(4-chlorophenyl)methylsulfanyl]-3-quinolyl]methyleneamino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-[2-[(4-chlorophenyl)methylthio]-3-quinolinyl]methylideneamino] ester IUPAC Name: [(E)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-[2-[(4-chlorobenzyl)thio]-3-quinolyl]methyleneamino] ester Formula: C25H19ClN2O2S MolecularWeight: 446.94856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ON=CC2=CC3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O/N=C/C2=CC3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O2S/c1-17-6-10-19(11-7-17)25(29)30-27-15-21-14-20-4-2-3-5-23(20)28-24(21)31-16-18-8-12-22(26)13-9-18/h2-15H,16H2,1H3/b27-15+