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

Systemtic Name: 2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-5-keto-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H15N7OS2 MolecularWeight: 421.4987

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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=CN=CC=C4)C(=O)C1

Isomeric SMILES

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

InChI

InChI=1S/C19H15N7OS2/c20-6-8-28-19-25-24-18(29-19)26-13-4-1-5-14(27)16(13)15(12(9-21)17(26)22)11-3-2-7-23-10-11/h2-3,7,10,15H,1,4-5,8,22H2