4-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C19H17N3OS2 MolecularWeight: 367.48778

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCCC#N)SC(=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCCC#N)SC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3OS2/c1-2-11-22-18(23)15-13-16(14-8-4-3-5-9-14)25-17(15)21-19(22)24-12-7-6-10-20/h2-5,8-9,13H,1,6-7,11-12H2