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

Systemtic Name: 2-azanyl-4-(3-methylphenyl)-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(m-tolyl)-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-methylphenyl)-5-oxo-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-methylphenyl)-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-(m-tolyl)-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H23N5O2S2 MolecularWeight: 513.63382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H23N5O2S2/c1-16-7-5-10-18(13-16)23-19(14-28)25(29)32(20-11-6-12-21(33)24(20)23)26-30-31-27(36-26)35-15-22(34)17-8-3-2-4-9-17/h2-5,7-10,13,23H,6,11-12,15,29H2,1H3