2-azanyl-4-(4-bromanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-7,7-dimethyl-5-oxo-1-[5-(propan-2-ylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-1-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H22BrN5OS3 MolecularWeight: 536.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CC(C3)(C)C

Isomeric SMILES

CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CC(C3)(C)C

InChI

InChI=1S/C21H22BrN5OS3/c1-10(2)30-20-26-25-19(31-20)27-13-6-21(3,4)7-14(28)17(13)16(12(8-23)18(27)24)15-5-11(22)9-29-15/h5,9-10,16H,6-7,24H2,1-4H3