6-[4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-phenyl-1-(1-piperidin-1-iumylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c25-18-12-6-5-11-17(18)19-21-23(15-22-13-7-2-8-14-22)20(26)24(19)16-9-3-1-4-10-16/h1,3-6,9-12,21H,2,7-8,13-15H2/p+1