(2R)-2-methyl-3-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanenitrile

Systemtic Name: (2R)-2-methyl-3-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanenitrile Openeye Name: (2R)-3-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-2-methyl-3-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanenitrile IUPAC Name: (2R)-2-methyl-3-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-3-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-2-methyl-propionitrile Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(C)C#N)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC[C@H](C)C#N)CC=C

InChI

InChI=1S/C20H19N3OS2/c1-4-9-23-19(24)17-16(15-7-5-13(2)6-8-15)12-25-18(17)22-20(23)26-11-14(3)10-21/h4-8,12,14H,1,9,11H2,2-3H3/t14-/m1/s1