4-[[2-[1-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-3-sulfonyl-thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

Systemtic Name: 4-[[2-[1-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-3-sulfonyl-thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Openeye Name: 4-[[2-[1-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-3-sulfonyl-2-thienyl]methyl]-2-thioxo-1H-pyridine-3-carboxamide CAS Name: 4-[[2-[1-(1-benzotriazolyl)-1-piperidin-1-iumyl]-3-sulfonyl-2-thiophenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide IUPAC Name: 4-[[2-[1-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-3-sulfonylthiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Traditional Name: 4-[[2-[1-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-3-sulfonyl-2-thienyl]methyl]-2-thioxo-1H-pyridine-3-carboxamide Formula: C22H23N6O3S3+ MolecularWeight: 515.65142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2(C(=S(=O)=O)C=CS2)CC3=C(C(=S)NC=C3)C(=O)N)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC[N+](CC1)(C2(C(=S(=O)=O)C=CS2)CC3=C(C(=S)NC=C3)C(=O)N)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H22N6O3S3/c23-20(29)19-15(8-10-24-21(19)32)14-22(18(34(30)31)9-13-33-22)28(11-4-1-5-12-28)27-17-7-3-2-6-16(17)25-26-27/h2-3,6-10,13H,1,4-5,11-12,14H2,(H2-,23,24,29,32)/p+1