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

Systemtic Name: methyl-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-methyl-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium CAS Name: methyl-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-methyl-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]azanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-methyl-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium Formula: C21H24N5S+ MolecularWeight: 378.51376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+](C)CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+](C)CC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5S/c1-23(16-26-20-11-7-6-10-19(20)24(2)21(26)27)13-18-12-22-25(15-18)14-17-8-4-3-5-9-17/h3-12,15H,13-14,16H2,1-2H3/p+1