methyl 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]naphthalene-1-carboxylate

Systemtic Name: methyl 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]naphthalene-1-carboxylate Openeye Name: methyl 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]naphthalene-1-carboxylate CAS Name: 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylthio]-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]naphthalene-1-carboxylate Traditional Name: 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylthio]naphthalene-1-carboxylic acid methyl ester Formula: C26H24Cl2N2O2S MolecularWeight: 499.45196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC2=CC=CC=C21)C#N)SCCNCC(CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C(=CC2=CC=CC=C21)C#N)SCCNCC(CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H24Cl2N2O2S/c1-3-6-19(17-9-10-22(27)23(28)14-17)16-30-11-12-33-25-20(15-29)13-18-7-4-5-8-21(18)24(25)26(31)32-2/h3-5,7-10,13-14,19,30H,1,6,11-12,16H2,2H3