(4-methylphenyl)sulfonylmethyl-[phenyl-(1,2,4-triazol-4-ylcarbamothioylamino)methylidene]azanium

Systemtic Name: (4-methylphenyl)sulfonylmethyl-[phenyl-(1,2,4-triazol-4-ylcarbamothioylamino)methylidene]azanium Openeye Name: [phenyl-(1,2,4-triazol-4-ylcarbamothioylamino)methylene]-(p-tolylsulfonylmethyl)ammonium CAS Name: (4-methylphenyl)sulfonylmethyl-[phenyl-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]methylidene]ammonium IUPAC Name: (4-methylphenyl)sulfonylmethyl-[phenyl-(1,2,4-triazol-4-ylcarbamothioylamino)methylidene]azanium Traditional Name: [phenyl-(1,2,4-triazol-4-ylthiocarbamoylamino)methylene]-(tosylmethyl)ammonium Formula: C18H19N6O2S2+ MolecularWeight: 415.51246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[NH+]=C(C2=CC=CC=C2)NC(=S)NN3C=NN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[NH+]=C(C2=CC=CC=C2)NC(=S)NN3C=NN=C3

InChI

InChI=1S/C18H18N6O2S2/c1-14-7-9-16(10-8-14)28(25,26)13-19-17(15-5-3-2-4-6-15)22-18(27)23-24-11-20-21-12-24/h2-12H,13H2,1H3,(H2,19,22,23,27)/p+1