4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C18H11N3OS3 MolecularWeight: 381.49444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H11N3OS3/c19-8-11-3-5-12(6-4-11)9-25-18-20-16(22)15-13(10-24-17(15)21-18)14-2-1-7-23-14/h1-7,10H,9H2,(H,20,21,22)