(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium CAS Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-ethylazanium Traditional Name: benzyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C20H23N5S/c1-2-23(14-16-6-4-3-5-7-16)15-24-20(26)25(18-8-9-18)19(22-24)17-10-12-21-13-11-17/h3-7,10-13,18H,2,8-9,14-15H2,1H3/p+1