2-[(phenylmethyl)amino]-5-[3-[(phenylmethyl)amino]-4-sulfanyl-phenyl]benzenethiol

Systemtic Name: 2-[(phenylmethyl)amino]-5-[3-[(phenylmethyl)amino]-4-sulfanyl-phenyl]benzenethiol Openeye Name: 2-(benzylamino)-5-[3-(benzylamino)-4-sulfanyl-phenyl]benzenethiol CAS Name: 5-[4-mercapto-3-[(phenylmethyl)amino]phenyl]-2-[(phenylmethyl)amino]benzenethiol IUPAC Name: 2-(benzylamino)-5-[3-(benzylamino)-4-sulfanylphenyl]benzenethiol Traditional Name: 2-(benzylamino)-5-[3-(benzylamino)-4-mercapto-phenyl]benzenethiol Formula: C26H24N2S2 MolecularWeight: 428.61216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=CC(=C(C=C3)S)NCC4=CC=CC=C4)S

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=CC(=C(C=C3)S)NCC4=CC=CC=C4)S

InChI

InChI=1S/C26H24N2S2/c29-25-14-12-21(15-24(25)28-18-20-9-5-2-6-10-20)22-11-13-23(26(30)16-22)27-17-19-7-3-1-4-8-19/h1-16,27-30H,17-18H2