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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H23N6S2+ MolecularWeight: 411.56682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6S2/c1-3-12-25-19(15-8-10-21-11-9-15)23-26(20(25)27)14-24(2)13-18-22-16-6-4-5-7-17(16)28-18/h4-11H,3,12-14H2,1-2H3/p+1