2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxidanylidene-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxidanylidene-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-5-keto-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H16N6OS2 MolecularWeight: 420.51064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC#N)N)C#N)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC#N)N)C#N)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C20H16N6OS2/c21-9-10-28-20-25-24-19(29-20)26-14-7-4-8-15(27)17(14)16(13(11-22)18(26)23)12-5-2-1-3-6-12/h1-3,5-6,16H,4,7-8,10,23H2