cyclopropyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: cyclopropyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: cyclopropyl-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: cyclopropyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: cyclopropyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: cyclopropyl-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C22H22N5S2+ MolecularWeight: 420.57358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC1[NH+](CC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5S2/c28-22-26(16-25(18-8-9-18)15-17-10-12-23-13-11-17)24-21(20-7-4-14-29-20)27(22)19-5-2-1-3-6-19/h1-7,10-14,18H,8-9,15-16H2/p+1