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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(3-methylphenyl)-4-propyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(m-tolyl)-4-propyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(3-methylphenyl)-4-propyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(3-methylphenyl)-4-propyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(m-tolyl)-4-propyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C22H26N5S2+ MolecularWeight: 424.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H25N5S2/c1-4-12-26-21(17-9-7-8-16(2)13-17)24-27(22(26)28)15-25(3)14-20-23-18-10-5-6-11-19(18)29-20/h5-11,13H,4,12,14-15H2,1-3H3/p+1