6-azanyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-prop-2-enylsulfanyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 6-azanyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-prop-2-enylsulfanyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-allylsulfanyl-6-amino-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carboxamide CAS Name: 6-amino-5-(4-phenyl-2-thiazolyl)-2-(prop-2-enylthio)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-amino-5-(4-phenyl-1,3-thiazol-2-yl)-2-prop-2-enylsulfanylpyridin-1-ium-3-carboxamide Traditional Name: 2-(allylthio)-6-amino-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carboxamide Formula: C18H17N4OS2+ MolecularWeight: 369.48378

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=C(C(=[NH+]1)N)C2=NC(=CS2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C=CCSC1=C(C=C(C(=[NH+]1)N)C2=NC(=CS2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H16N4OS2/c1-2-8-24-18-13(16(20)23)9-12(15(19)22-18)17-21-14(10-25-17)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2,(H2,19,22)(H2,20,23)/p+1