2-[5,6-dimethyl-3-(2-methylpropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[5,6-dimethyl-3-(2-methylpropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-isobutyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[5,6-dimethyl-3-(2-methylpropyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[5,6-dimethyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(3-isobutyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-5-nitro-benzonitrile Formula: C19H18N4O3S2 MolecularWeight: 414.50122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)CC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)CC(C)C)C

InChI

InChI=1S/C19H18N4O3S2/c1-10(2)9-22-18(24)16-11(3)12(4)27-17(16)21-19(22)28-15-6-5-14(23(25)26)7-13(15)8-20/h5-7,10H,9H2,1-4H3