2-[[5-cyclohexyl-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclohexyl-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(2,5-dimethyl-3-pyrrolylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C17H22N5O2S- MolecularWeight: 360.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNN2C(=NN=C2SCC(=O)[O-])C3CCCCC3)C(=N1)C

Isomeric SMILES

CC1=CC(=CNN2C(=NN=C2SCC(=O)[O-])C3CCCCC3)C(=N1)C

InChI

InChI=1S/C17H23N5O2S/c1-11-8-14(12(2)19-11)9-18-22-16(13-6-4-3-5-7-13)20-21-17(22)25-10-15(23)24/h8-9,13,18H,3-7,10H2,1-2H3,(H,23,24)/p-1