1,3-benzothiazol-2-ylmethyl-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: [4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: [4-allyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C21H21ClN5S2+ MolecularWeight: 443.00794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5S2/c1-3-12-26-20(15-8-10-16(22)11-9-15)24-27(21(26)28)14-25(2)13-19-23-17-6-4-5-7-18(17)29-19/h3-11H,1,12-14H2,2H3/p+1