1,3-benzothiazol-2-ylmethyl-[[5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium Formula: C19H19ClN5OS2+ MolecularWeight: 432.97006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N=C(N3)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N=C(N3)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C19H18ClN5OS2/c1-24(10-17-21-14-5-3-4-6-16(14)28-17)11-25-19(27)22-18(23-25)13-9-12(20)7-8-15(13)26-2/h3-9H,10-11H2,1-2H3,(H,22,23,27)/p+1