3-[4-oxidanylidene-6-phenyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[4-oxidanylidene-6-phenyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylpropanenitrile Openeye Name: 3-(3-benzyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: 3-[[4-oxo-6-phenyl-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]propanenitrile IUPAC Name: 3-(3-benzyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-benzyl-4-keto-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)thio]propionitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCCC#N

InChI

InChI=1S/C22H17N3OS2/c23-12-7-13-27-22-24-18-14-19(17-10-5-2-6-11-17)28-20(18)21(26)25(22)15-16-8-3-1-4-9-16/h1-6,8-11,14H,7,13,15H2