4-azanyl-3-phenyl-N-(pyridin-1-ium-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

Systemtic Name: 4-azanyl-3-phenyl-N-(pyridin-1-ium-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide Openeye Name: 4-amino-3-phenyl-N-(pyridin-1-ium-3-ylmethyl)-2-thioxo-thiazole-5-carboxamide CAS Name: 4-amino-3-phenyl-N-(3-pyridin-1-iumylmethyl)-2-sulfanylidene-5-thiazolecarboxamide IUPAC Name: 4-amino-3-phenyl-N-(pyridin-1-ium-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide Traditional Name: 4-amino-3-phenyl-N-(pyridin-1-ium-3-ylmethyl)-2-thioxo-4-thiazoline-5-carboxamide Formula: C16H15N4OS2+ MolecularWeight: 343.4465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=C[NH+]=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=C[NH+]=CC=C3)N

InChI

InChI=1S/C16H14N4OS2/c17-14-13(15(21)19-10-11-5-4-8-18-9-11)23-16(22)20(14)12-6-2-1-3-7-12/h1-9H,10,17H2,(H,19,21)/p+1