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

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-5-oxo-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(3-bromophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H20BrN5OS2 MolecularWeight: 550.4932

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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(=CC=C5)Br)C(=O)C1

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrN5OS2/c26-17-9-4-8-16(12-17)21-18(13-27)23(28)31(19-10-5-11-20(32)22(19)21)24-29-30-25(34-24)33-14-15-6-2-1-3-7-15/h1-4,6-9,12,21H,5,10-11,14,28H2