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

Systemtic Name: 4-(2-aminophenyl)sulfanyl-5-chloranyl-3,6-dioctoxy-benzene-1,2-dicarbonitrile Openeye Name: 4-(2-aminophenyl)sulfanyl-5-chloro-3,6-dioctoxy-phthalonitrile CAS Name: 4-[(2-aminophenyl)thio]-5-chloro-3,6-dioctoxybenzene-1,2-dicarbonitrile IUPAC Name: 4-(2-aminophenyl)sulfanyl-5-chloro-3,6-dioctoxybenzene-1,2-dicarbonitrile Traditional Name: 4-[(2-aminophenyl)thio]-5-chloro-3,6-dioctoxy-phthalonitrile Formula: C30H40ClN3O2S MolecularWeight: 542.1755

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C(=C1C#N)C#N)OCCCCCCCC)Cl)SC2=CC=CC=C2N

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C(=C1C#N)C#N)OCCCCCCCC)Cl)SC2=CC=CC=C2N

InChI

InChI=1S/C30H40ClN3O2S/c1-3-5-7-9-11-15-19-35-28-23(21-32)24(22-33)29(36-20-16-12-10-8-6-4-2)30(27(28)31)37-26-18-14-13-17-25(26)34/h13-14,17-18H,3-12,15-16,19-20,34H2,1-2H3