6-(1,3-benzodioxol-5-yl)-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[(3-nitro-2-pyridyl)sulfanyl]pyridine-3-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[(3-nitro-2-pyridinyl)thio]-3-pyridinecarbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-(3-nitropyridin-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[(3-nitro-2-pyridyl)thio]nicotinonitrile Formula: C18H10N4O4S MolecularWeight: 378.3614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H10N4O4S/c19-9-12-3-5-13(11-4-6-15-16(8-11)26-10-25-15)21-17(12)27-18-14(22(23)24)2-1-7-20-18/h1-8H,10H2