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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C(=S)SN1)C#N.[Na+]

Isomeric SMILES

CCC(C)SC1=C(C(=S)SN1)C#N.[Na+]

InChI

InChI=1S/C8H10N2S3.Na/c1-3-5(2)12-7-6(4-9)8(11)13-10-7;/h5,10H,3H2,1-2H3;/q;+1