3-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]-4-methyl-naphthalene-2-carbonitrile

Systemtic Name: 3-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]-4-methyl-naphthalene-2-carbonitrile Openeye Name: 3-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]-4-methyl-naphthalene-2-carbonitrile CAS Name: 3-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylthio]-4-methyl-2-naphthalenecarbonitrile IUPAC Name: 3-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylsulfanyl]-4-methylnaphthalene-2-carbonitrile Traditional Name: 3-[2-[2-(3,4-dichlorophenyl)pent-4-enylamino]ethylthio]-4-methyl-naphthalene-2-carbonitrile Formula: C25H24Cl2N2S MolecularWeight: 455.44246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C12)C#N)SCCNCC(CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C12)C#N)SCCNCC(CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H24Cl2N2S/c1-3-6-20(18-9-10-23(26)24(27)14-18)16-29-11-12-30-25-17(2)22-8-5-4-7-19(22)13-21(25)15-28/h3-5,7-10,13-14,20,29H,1,6,11-12,16H2,2H3