methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(2-pyrrolidinobenzyl)ammonium Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5S/c1-24(16-19-12-6-7-13-20(19)26-14-8-9-15-26)17-27-22(28)25(2)21(23-27)18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3/p+1