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

Systemtic Name: 2-azanyl-4,8-bis(4-methylsulfanylphenyl)-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile Openeye Name: 2-amino-4,8-bis(4-methylsulfanylphenyl)-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile CAS Name: 2-amino-4,8-bis[4-(methylthio)phenyl]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile IUPAC Name: 2-amino-4,8-bis(4-methylsulfanylphenyl)-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]azepine-3-carbonitrile Traditional Name: 2-amino-4,8-bis[4-(methylthio)phenyl]-6-propyl-5,7-dihydro-4H-pyran[3,2-c]azepine-3-carbonitrile Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(=CC2=C(C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)SC

Isomeric SMILES

CCCN1CC(=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/C27H29N3OS2/c1-4-13-30-16-20(18-5-9-21(32-2)10-6-18)14-25-24(17-30)26(23(15-28)27(29)31-25)19-7-11-22(33-3)12-8-19/h5-12,14,26H,4,13,16-17,29H2,1-3H3