4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C19H13N3O2S MolecularWeight: 347.39042

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H13N3O2S/c20-10-13-1-3-14(4-2-13)11-25-19-21-8-7-16(22-19)15-5-6-17-18(9-15)24-12-23-17/h1-9H,11-12H2