3-butyl-5-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-1-ium-4-one

Systemtic Name: 3-butyl-5-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-1-ium-4-one Openeye Name: 3-butyl-5-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1H-pyridin-1-ium-4-one CAS Name: 3-butyl-5-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-1-ium-4-one IUPAC Name: 3-butyl-5-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-1-ium-4-one Traditional Name: 3-butyl-5-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1H-pyridin-1-ium-4-one Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[NH2+]C=C(C1=O)C2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C[NH2+]C=C(C1=O)C2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C17H18N4OS/c1-2-3-7-12-10-18-11-14(15(12)22)16-19-20-17(23)21(16)13-8-5-4-6-9-13/h4-6,8-11H,2-3,7H2,1H3,(H,18,22)(H,20,23)/p+1