3-fluoranyl-6-[(phenylmethyl)amino]-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-fluoranyl-6-[(phenylmethyl)amino]-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(benzylamino)-6-fluoro-4,5-bis(phenylsulfanyl)phthalonitrile CAS Name: 3-fluoro-6-[(phenylmethyl)amino]-4,5-bis(phenylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3-(benzylamino)-6-fluoro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(benzylamino)-6-fluoro-4,5-bis(phenylthio)phthalonitrile Formula: C27H18FN3S2 MolecularWeight: 467.580323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C(=C2C#N)C#N)F)SC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C(=C2C#N)C#N)F)SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H18FN3S2/c28-24-22(16-29)23(17-30)25(31-18-19-10-4-1-5-11-19)27(33-21-14-8-3-9-15-21)26(24)32-20-12-6-2-7-13-20/h1-15,31H,18H2