[3-(2-chlorophenyl)-4-cyclopentyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [3-(2-chlorophenyl)-4-cyclopentyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [3-(2-chlorophenyl)-4-cyclopentyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [3-(2-chlorophenyl)-4-cyclopentyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylammonium IUPAC Name: [3-(2-chlorophenyl)-4-cyclopentyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: [3-(2-chlorophenyl)-4-cyclopentyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C20H27ClN5OS+ MolecularWeight: 420.97928

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4CCCC4

Isomeric SMILES

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4CCCC4

InChI

InChI=1S/C20H26ClN5OS/c1-24(12-18(27)22-14-10-11-14)13-25-20(28)26(15-6-2-3-7-15)19(23-25)16-8-4-5-9-17(16)21/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,22,27)/p+1