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

Systemtic Name: methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(2-pyrrolidinobenzyl)ammonium Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5S/c1-23(15-18-9-5-6-12-20(18)24-13-7-8-14-24)17-26-21(27)25(16-22-26)19-10-3-2-4-11-19/h2-6,9-12,16H,7-8,13-15,17H2,1H3/p+1