2-azanyl-6-ethyl-4,8-bis(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile

Systemtic Name: 2-azanyl-6-ethyl-4,8-bis(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile Openeye Name: 2-amino-6-ethyl-4,8-bis(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile CAS Name: 2-amino-6-ethyl-4,8-bis[4-(methylthio)phenyl]-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile IUPAC Name: 2-amino-6-ethyl-4,8-bis(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile Traditional Name: 2-amino-6-ethyl-4,8-bis[4-(methylthio)phenyl]-5,7-dihydro-4H-pyran[3,2-c]azepine-3-carbonitrile Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=CC2=C(C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)SC

Isomeric SMILES

CCN1CC(=CC2=C(C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H27N3OS2/c1-4-29-15-19(17-5-9-20(31-2)10-6-17)13-24-23(16-29)25(22(14-27)26(28)30-24)18-7-11-21(32-3)12-8-18/h5-13,25H,4,15-16,28H2,1-3H3