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

Systemtic Name: 2-azanyl-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-5-oxo-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-keto-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H19N5OS3 MolecularWeight: 477.62486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=CC=CS5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=CC=CS5)C(=O)C1

InChI

InChI=1S/C23H19N5OS3/c24-12-15-19(18-10-5-11-30-18)20-16(8-4-9-17(20)29)28(21(15)25)22-26-27-23(32-22)31-13-14-6-2-1-3-7-14/h1-3,5-7,10-11,19H,4,8-9,13,25H2