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

Systemtic Name: 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]naphthalene-1-carboxylic acid Openeye Name: 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]naphthalene-1-carboxylic acid CAS Name: 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylthio]-1-naphthalenecarboxylic acid IUPAC Name: 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]naphthalene-1-carboxylic acid Traditional Name: 3-cyano-2-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylthio]-1-naphthoic acid Formula: C25H22Cl2N2O2S MolecularWeight: 485.42538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CNCCSC1=C(C2=CC=CC=C2C=C1C#N)C(=O)O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCC(CNCCSC1=C(C2=CC=CC=C2C=C1C#N)C(=O)O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H22Cl2N2O2S/c1-2-5-18(16-8-9-21(26)22(27)13-16)15-29-10-11-32-24-19(14-28)12-17-6-3-4-7-20(17)23(24)25(30)31/h2-4,6-9,12-13,18,29H,1,5,10-11,15H2,(H,30,31)