(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: [4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: [4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(2-phenoxyethyl)ammonium Formula: C19H23N4OS2+ MolecularWeight: 387.54212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C19H22N4OS2/c1-21(11-12-24-16-6-3-2-4-7-16)14-22-19(25)23(15-9-10-15)18(20-22)17-8-5-13-26-17/h2-8,13,15H,9-12,14H2,1H3/p+1