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

Systemtic Name: 2-[[5-cyclohexyl-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(2-methyl-3-indolylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C20H22N5O2S- MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1=CNN3C(=NN=C3SCC(=O)[O-])C4CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C1=CNN3C(=NN=C3SCC(=O)[O-])C4CCCCC4

InChI

InChI=1S/C20H23N5O2S/c1-13-16(15-9-5-6-10-17(15)22-13)11-21-25-19(14-7-3-2-4-8-14)23-24-20(25)28-12-18(26)27/h5-6,9-11,14,21H,2-4,7-8,12H2,1H3,(H,26,27)/p-1