2-cyano-3-(3-methyl-1H-pyrrol-2-yl)prop-2-enedithioic acid

Systemtic Name: 2-cyano-3-(3-methyl-1H-pyrrol-2-yl)prop-2-enedithioic acid Openeye Name: 2-cyano-3-(3-methyl-1H-pyrrol-2-yl)prop-2-enedithioic acid CAS Name: 2-cyano-3-(3-methyl-1H-pyrrol-2-yl)-2-propenedithioic acid IUPAC Name: 2-cyano-3-(3-methyl-1H-pyrrol-2-yl)prop-2-enedithioic acid Traditional Name: 2-cyano-3-(3-methyl-1H-pyrrol-2-yl)prop-2-enedithioic acid Formula: C9H8N2S2 MolecularWeight: 208.30322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1)C=C(C#N)C(=S)S

Isomeric SMILES

CC1=C(NC=C1)C=C(C#N)C(=S)S

InChI

InChI=1S/C9H8N2S2/c1-6-2-3-11-8(6)4-7(5-10)9(12)13/h2-4,11H,1H3,(H,12,13)