8-azanyl-3-(phenylmethyl)-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-3-(phenylmethyl)-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-3-benzyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-mercapto-3-(phenylmethyl)-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-3-benzyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-3-benzyl-10-mercapto-9-aza-3-azoniaspiro[5.5]undeca-8,10-diene-7,11-dicarbonitrile Formula: C18H20N5S+ MolecularWeight: 338.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(C(=NC(=C2C#N)S)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC12C(C(=NC(=C2C#N)S)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N5S/c19-10-14-16(21)22-17(24)15(11-20)18(14)6-8-23(9-7-18)12-13-4-2-1-3-5-13/h1-5,14,24H,6-9,12H2,(H2,21,22)/p+1