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

Systemtic Name: 4-(2-aminophenyl)sulfanyl-5-chloranyl-3,6-bis(3-methylbutoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-(2-aminophenyl)sulfanyl-5-chloro-3,6-diisopentyloxy-phthalonitrile CAS Name: 4-[(2-aminophenyl)thio]-5-chloro-3,6-bis(3-methylbutoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4-(2-aminophenyl)sulfanyl-5-chloro-3,6-bis(3-methylbutoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-[(2-aminophenyl)thio]-5-chloro-3,6-diisoamoxy-phthalonitrile Formula: C24H28ClN3O2S MolecularWeight: 458.01602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O2S/c1-15(2)9-11-29-22-17(13-26)18(14-27)23(30-12-10-16(3)4)24(21(22)25)31-20-8-6-5-7-19(20)28/h5-8,15-16H,9-12,28H2,1-4H3