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

Systemtic Name: cyclopropyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: cyclopropyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: cyclopropyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: cyclopropyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: cyclopropyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C19H22N5S+ MolecularWeight: 352.47648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](CC2=CC=NC=C2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](CC2=CC=NC=C2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5S/c1-22-18(16-5-3-2-4-6-16)21-24(19(22)25)14-23(17-7-8-17)13-15-9-11-20-12-10-15/h2-6,9-12,17H,7-8,13-14H2,1H3/p+1