4-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile 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)SCCCC#N)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS2/c1-3-11-23-19(24)17-16(15-8-6-14(2)7-9-15)13-26-18(17)22-20(23)25-12-5-4-10-21/h3,6-9,13H,1,4-5,11-12H2,2H3