3-azanyl-5-(phenylmethylsulfanyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxamide bromide

Systemtic Name: 3-azanyl-5-(phenylmethylsulfanyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxamide bromide Openeye Name: 3-amino-5-benzylsulfanyl-4-pyridin-1-ium-1-yl-thiophene-2-carboxamide bromide CAS Name: 3-amino-5-(phenylmethylthio)-4-(1-pyridin-1-iumyl)-2-thiophenecarboxamide bromide IUPAC Name: 3-amino-5-benzylsulfanyl-4-pyridin-1-ium-1-ylthiophene-2-carboxamide bromide Traditional Name: 3-amino-5-(benzylthio)-4-pyridin-1-ium-1-yl-thiophene-2-carboxamide bromide Formula: C17H16BrN3OS2 MolecularWeight: 422.36244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)N)N)[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)N)N)[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H15N3OS2.BrH/c18-13-14(20-9-5-2-6-10-20)17(23-15(13)16(19)21)22-11-12-7-3-1-4-8-12;/h1-10H,11H2,(H3-,18,19,21);1H