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

Systemtic Name: 3-[(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C21H15N3OS3 MolecularWeight: 421.5583

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H15N3OS3/c1-2-8-24-20(25)18-16(17-7-4-9-26-17)13-27-19(18)23-21(24)28-12-15-6-3-5-14(10-15)11-22/h2-7,9-10,13H,1,8,12H2