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

Systemtic Name: cyclopentyl-cyclopropyl-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: cyclopentyl-cyclopropyl-[[3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: cyclopentyl-cyclopropyl-[[3-(2-furanyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: cyclopentyl-cyclopropyl-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: cyclopentyl-cyclopropyl-[[3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H24N4OS/c27-21-24(15-23(17-12-13-17)16-7-4-5-8-16)22-20(19-11-6-14-26-19)25(21)18-9-2-1-3-10-18/h1-3,6,9-11,14,16-17H,4-5,7-8,12-13,15H2/p+1