1,3-benzothiazol-2-ylmethyl-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C22H24N5S2+ MolecularWeight: 422.58946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N(C(=N3)C4CC4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N(C(=N3)C4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H23N5S2/c1-25(14-20-23-18-9-5-6-10-19(18)29-20)15-27-22(28)26(21(24-27)17-11-12-17)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/p+1