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

Systemtic Name: [3-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-azanium Openeye Name: [3-[(2-chlorophenoxy)methyl]-4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-ammonium CAS Name: [3-[(2-chlorophenoxy)methyl]-4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropylammonium IUPAC Name: [3-[(2-chlorophenoxy)methyl]-4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropylazanium Traditional Name: [3-[(2-chlorophenoxy)methyl]-4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-ammonium Formula: C21H28ClN4OS+ MolecularWeight: 419.99122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4CC4)C5CC5

Isomeric SMILES

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4CC4)C5CC5

InChI

InChI=1S/C21H27ClN4OS/c22-18-7-3-4-8-19(18)27-13-20-23-25(21(28)26(20)17-11-12-17)14-24(16-9-10-16)15-5-1-2-6-15/h3-4,7-8,15-17H,1-2,5-6,9-14H2/p+1