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

Systemtic Name: [3-[(2-chloranylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-azanium Openeye Name: [3-[(2-chlorophenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-ammonium CAS Name: [3-[(2-chlorophenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropylammonium IUPAC Name: [3-[(2-chlorophenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropylazanium Traditional Name: [3-[(2-chlorophenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-ammonium Formula: C19H26ClN4OS+ MolecularWeight: 393.95394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C2CCCC2)C3CC3)COC4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C2CCCC2)C3CC3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C19H25ClN4OS/c1-22-18(12-25-17-9-5-4-8-16(17)20)21-24(19(22)26)13-23(15-10-11-15)14-6-2-3-7-14/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3/p+1