methyl 3-(3-chloranyl-4-methyl-phenyl)-2-(4-methylsulfanylphenyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-methyl-phenyl)-2-(4-methylsulfanylphenyl)azulene-1-carboxylate Openeye Name: methyl 3-(3-chloro-4-methyl-phenyl)-2-(4-methylsulfanylphenyl)azulene-1-carboxylate CAS Name: 3-(3-chloro-4-methylphenyl)-2-[4-(methylthio)phenyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-methylphenyl)-2-(4-methylsulfanylphenyl)azulene-1-carboxylate Traditional Name: 3-(3-chloro-4-methyl-phenyl)-2-[4-(methylthio)phenyl]azulene-1-carboxylic acid methyl ester Formula: C26H21ClO2S MolecularWeight: 432.96174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=C3C2=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)SC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=C3C2=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)SC)Cl

InChI

InChI=1S/C26H21ClO2S/c1-16-9-10-18(15-22(16)27)23-20-7-5-4-6-8-21(20)25(26(28)29-2)24(23)17-11-13-19(30-3)14-12-17/h4-15H,1-3H3