3-azanyl-2-(2-azanyl-1,3-thiazol-3-ium-4-yl)but-2-enenitrile

Systemtic Name: 3-azanyl-2-(2-azanyl-1,3-thiazol-3-ium-4-yl)but-2-enenitrile Openeye Name: 3-amino-2-(2-aminothiazol-3-ium-4-yl)but-2-enenitrile CAS Name: 3-amino-2-(2-amino-4-thiazol-3-iumyl)-2-butenenitrile IUPAC Name: 3-amino-2-(2-amino-1,3-thiazol-3-ium-4-yl)but-2-enenitrile Traditional Name: 3-amino-2-(2-aminothiazol-3-ium-4-yl)but-2-enenitrile Formula: C7H9N4S+ MolecularWeight: 181.23816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C1=CSC(=[NH+]1)N)N

Isomeric SMILES

CC(=C(C#N)C1=CSC(=[NH+]1)N)N

InChI

InChI=1S/C7H8N4S/c1-4(9)5(2-8)6-3-12-7(10)11-6/h3H,9H2,1H3,(H2,10,11)/p+1