5-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpentanenitrile

Systemtic Name: 5-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpentanenitrile Openeye Name: 5-(3-allyl-5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpentanenitrile CAS Name: 5-[(5-methyl-4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]pentanenitrile IUPAC Name: 5-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpentanenitrile Traditional Name: 5-[(3-allyl-4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]valeronitrile Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCCC#N)CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCCC#N)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS2/c1-3-13-24-20(25)17-15(2)18(16-10-6-4-7-11-16)27-19(17)23-21(24)26-14-9-5-8-12-22/h3-4,6-7,10-11H,1,5,8-9,13-14H2,2H3