4-(2-aminophenyl)sulfanyl-3,6-bis(3-methylbutoxy)-5-phenylsulfanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(2-aminophenyl)sulfanyl-3,6-bis(3-methylbutoxy)-5-phenylsulfanyl-benzene-1,2-dicarbonitrile Openeye Name: 4-(2-aminophenyl)sulfanyl-3,6-diisopentyloxy-5-phenylsulfanyl-phthalonitrile CAS Name: 4-[(2-aminophenyl)thio]-3,6-bis(3-methylbutoxy)-5-(phenylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4-(2-aminophenyl)sulfanyl-3,6-bis(3-methylbutoxy)-5-phenylsulfanylbenzene-1,2-dicarbonitrile Traditional Name: 4-[(2-aminophenyl)thio]-3,6-diisoamoxy-5-(phenylthio)phthalonitrile Formula: C30H33N3O2S2 MolecularWeight: 531.73192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C(=C(C(=C1C#N)C#N)OCCC(C)C)SC2=CC=CC=C2N)SC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C(=C(C(=C1C#N)C#N)OCCC(C)C)SC2=CC=CC=C2N)SC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O2S2/c1-20(2)14-16-34-27-23(18-31)24(19-32)28(35-17-15-21(3)4)30(37-26-13-9-8-12-25(26)33)29(27)36-22-10-6-5-7-11-22/h5-13,20-21H,14-17,33H2,1-4H3