sodium 3-oxidanylidene-5-(propan-2-ylamino)-1,2-thiazole-4-carbonitrile

Systemtic Name: sodium 3-oxidanylidene-5-(propan-2-ylamino)-1,2-thiazole-4-carbonitrile Openeye Name: sodium 5-(isopropylamino)-3-oxo-isothiazole-4-carbonitrile CAS Name: sodium 3-oxo-5-(propan-2-ylamino)-4-isothiazolecarbonitrile IUPAC Name: sodium 3-oxo-5-(propan-2-ylamino)-1,2-thiazole-4-carbonitrile Traditional Name: sodium 5-(isopropylamino)-3-keto-4-isothiazoline-4-carbonitrile Formula: C7H9N3NaOS+ MolecularWeight: 206.22063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=O)NS1)C#N.[Na+]

Isomeric SMILES

CC(C)NC1=C(C(=O)NS1)C#N.[Na+]

InChI

InChI=1S/C7H9N3OS.Na/c1-4(2)9-7-5(3-8)6(11)10-12-7;/h4,9H,1-2H3,(H,10,11);/q;+1