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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C21H22N5S2+ MolecularWeight: 408.56288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5S2/c1-3-13-25-20(16-9-5-4-6-10-16)23-26(21(25)27)15-24(2)14-19-22-17-11-7-8-12-18(17)28-19/h3-12H,1,13-15H2,2H3/p+1