methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium

Systemtic Name: methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-methyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium CAS Name: methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-methyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-methyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium Formula: C20H21N4S2+ MolecularWeight: 381.53754

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

C[NH+](CC1=CN(N=C1)CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C20H20N4S2/c1-22(15-24-18-9-5-6-10-19(18)26-20(24)25)12-17-11-21-23(14-17)13-16-7-3-2-4-8-16/h2-11,14H,12-13,15H2,1H3/p+1