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

Systemtic Name: 6-[4-phenyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-phenyl-1-(pyrrolidin-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-pyrrolidin-1-iumylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-phenyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-phenyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4OS/c24-17-11-5-4-10-16(17)18-20-22(14-21-12-6-7-13-21)19(25)23(18)15-8-2-1-3-9-15/h1-5,8-11,20H,6-7,12-14H2/p+1