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

Systemtic Name: 3-azanyl-5-(phenylmethylsulfanyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxamide Openeye Name: 3-amino-5-benzylsulfanyl-4-pyridin-1-ium-1-yl-thiophene-2-carboxamide CAS Name: 3-amino-5-(phenylmethylthio)-4-(1-pyridin-1-iumyl)-2-thiophenecarboxamide IUPAC Name: 3-amino-5-benzylsulfanyl-4-pyridin-1-ium-1-ylthiophene-2-carboxamide Traditional Name: 3-amino-5-(benzylthio)-4-pyridin-1-ium-1-yl-thiophene-2-carboxamide Formula: C17H16N3OS2+ MolecularWeight: 342.45844

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3OS2/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)/p+1