sodium 5-butan-2-ylsulfanyl-3-sulfanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: sodium 5-butan-2-ylsulfanyl-3-sulfanylidene-1,2-thiazole-4-carbonitrile Openeye Name: sodium 5-sec-butylsulfanyl-3-thioxo-isothiazole-4-carbonitrile CAS Name: sodium 5-(butan-2-ylthio)-3-sulfanylidene-4-isothiazolecarbonitrile IUPAC Name: sodium 5-butan-2-ylsulfanyl-3-sulfanylidene-1,2-thiazole-4-carbonitrile Traditional Name: sodium 5-(sec-butylthio)-3-thioxo-4-isothiazoline-4-carbonitrile Formula: C8H10N2NaS3+ MolecularWeight: 253.36317

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C(=S)NS1)C#N.[Na+]

Isomeric SMILES

CCC(C)SC1=C(C(=S)NS1)C#N.[Na+]

InChI

InChI=1S/C8H10N2S3.Na/c1-3-5(2)12-8-6(4-9)7(11)10-13-8;/h5H,3H2,1-2H3,(H,10,11);/q;+1