N-[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide CAS Name: N-[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide Formula: C19H24N5O2S3+ MolecularWeight: 450.62116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N5O2S3/c1-22-18(15-6-3-2-4-7-15)20-24(19(22)27)14-23-11-9-16(10-12-23)21-29(25,26)17-8-5-13-28-17/h2-8,13,16,21H,9-12,14H2,1H3/p+1