2-azanyl-1-(3-bromophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-bromophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-bromophenyl)-4-(2-ethylsulfanyl-3-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-bromophenyl)-4-[2-(ethylthio)-3-thiophenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-bromophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-bromophenyl)-4-[2-(ethylthio)-3-thienyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H20BrN3OS2 MolecularWeight: 486.4477

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Br)N)C#N

Isomeric SMILES

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Br)N)C#N

InChI

InChI=1S/C22H20BrN3OS2/c1-2-28-22-15(9-10-29-22)19-16(12-24)21(25)26(14-6-3-5-13(23)11-14)17-7-4-8-18(27)20(17)19/h3,5-6,9-11,19H,2,4,7-8,25H2,1H3