[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H20N5OS2+ MolecularWeight: 386.5143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N5OS2/c24-17(16-7-4-12-26-16)21-10-8-20(9-11-21)14-23-18(25)22(13-19-23)15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2/p+1