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

Systemtic Name: 4-(4-oxidanylidene-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(4-oxo-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(4-oxo-3,6-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(4-keto-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCCC#N

InChI

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