8-azanyl-3-propan-2-yl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-3-propan-2-yl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-3-isopropyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-mercapto-3-propan-2-yl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-3-propan-2-yl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-3-isopropyl-10-mercapto-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Formula: C14H20N5S+ MolecularWeight: 290.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2(CC1)C(C(=NC(=C2C#N)S)N)C#N

Isomeric SMILES

CC(C)[NH+]1CCC2(CC1)C(C(=NC(=C2C#N)S)N)C#N

InChI

InChI=1S/C14H19N5S/c1-9(2)19-5-3-14(4-6-19)10(7-15)12(17)18-13(20)11(14)8-16/h9-10,20H,3-6H2,1-2H3,(H2,17,18)/p+1