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

Systemtic Name: cyclopropyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: cyclopropyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: cyclopropyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: cyclopropyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: cyclopropyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C18H20N5S+ MolecularWeight: 338.4499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5S/c24-18-22(17-4-2-1-3-5-17)13-20-23(18)14-21(16-6-7-16)12-15-8-10-19-11-9-15/h1-5,8-11,13,16H,6-7,12,14H2/p+1