2-azanyl-4-(3-methoxyphenyl)-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-methoxyphenyl)-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-methoxyphenyl)-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-methoxyphenyl)-5-oxo-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-methoxyphenyl)-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-(3-methoxyphenyl)-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H23N5O3S2 MolecularWeight: 529.63322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)C5=CC=CC=C5)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)C5=CC=CC=C5)N)C#N

InChI

InChI=1S/C27H23N5O3S2/c1-35-18-10-5-9-17(13-18)23-19(14-28)25(29)32(20-11-6-12-21(33)24(20)23)26-30-31-27(37-26)36-15-22(34)16-7-3-2-4-8-16/h2-5,7-10,13,23H,6,11-12,15,29H2,1H3