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

Systemtic Name: [4-cyclopropyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-cyclopropyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium CAS Name: [4-cyclopropyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-cyclopropyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-[[4-cyclopropyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium Formula: C20H25N4S2+ MolecularWeight: 385.5693

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CC4

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CC4

InChI

InChI=1S/C20H24N4S2/c1-2-22(14-16-7-4-3-5-8-16)15-23-20(25)24(17-10-11-17)19(21-23)13-18-9-6-12-26-18/h3-9,12,17H,2,10-11,13-15H2,1H3/p+1