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

Systemtic Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: (4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: (4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C23H30N5S+ MolecularWeight: 408.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5S/c1-3-27-22(19-11-5-4-6-12-19)24-28(23(27)29)18-25(2)17-20-13-7-8-14-21(20)26-15-9-10-16-26/h4-8,11-14H,3,9-10,15-18H2,1-2H3/p+1