(4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[[3-(trifluoromethyl)phenyl]sulfanyl]propanimidothioate

Systemtic Name: (4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[[3-(trifluoromethyl)phenyl]sulfanyl]propanimidothioate Openeye Name: (4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[[3-(trifluoromethyl)phenyl]sulfanyl]propanimidothioate CAS Name: N-(3-hexylphenyl)-3,3-bis[[3-(trifluoromethyl)phenyl]thio]propanimidothioic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[[3-(trifluoromethyl)phenyl]sulfanyl]propanimidothioate Traditional Name: N-(3-hexylphenyl)-3,3-bis[[3-(trifluoromethyl)phenyl]thio]thiopropionimidic acid (4-chlorophenyl) ester Formula: C35H32ClF6NS3 MolecularWeight: 712.273699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)N=C(CC(SC2=CC=CC(=C2)C(F)(F)F)SC3=CC=CC(=C3)C(F)(F)F)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)N=C(CC(SC2=CC=CC(=C2)C(F)(F)F)SC3=CC=CC(=C3)C(F)(F)F)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C35H32ClF6NS3/c1-2-3-4-5-9-24-10-6-13-28(20-24)43-32(44-29-18-16-27(36)17-19-29)23-33(45-30-14-7-11-25(21-30)34(37,38)39)46-31-15-8-12-26(22-31)35(40,41)42/h6-8,10-22,33H,2-5,9,23H2,1H3