(3S)-1-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H23N5OS/c22-19(27)17-10-7-13-24(14-17)15-25-21(28)26(18-11-5-2-6-12-18)20(23-25)16-8-3-1-4-9-16/h1-6,8-9,11-12,17H,7,10,13-15H2,(H2,22,27)/p+1/t17-/m0/s1