2-azanyl-7,7-dimethyl-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-7,7-dimethyl-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-oxo-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-4-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-4-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H24N6O2S2 MolecularWeight: 528.64846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)C4=CC=CC=C4)N)C#N)C5=CN=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)C4=CC=CC=C4)N)C#N)C5=CN=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H24N6O2S2/c1-27(2)11-19-23(20(34)12-27)22(17-9-6-10-30-14-17)18(13-28)24(29)33(19)25-31-32-26(37-25)36-15-21(35)16-7-4-3-5-8-16/h3-10,14,22H,11-12,15,29H2,1-2H3