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

Systemtic Name: methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C24H30N5S+ MolecularWeight: 420.5935

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5S/c1-3-15-28-23(20-11-5-4-6-12-20)25-29(24(28)30)19-26(2)18-21-13-7-8-14-22(21)27-16-9-10-17-27/h3-8,11-14H,1,9-10,15-19H2,2H3/p+1