2-[[5-cyclohexyl-4-(indol-3-ylidenemethylamino)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclohexyl-4-(indol-3-ylidenemethylamino)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclohexyl-4-(indol-3-ylidenemethylamino)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclohexyl-4-(3-indolylidenemethylamino)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclohexyl-4-(indol-3-ylidenemethylamino)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclohexyl-4-(indol-3-ylidenemethylamino)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C19H21N5O2S MolecularWeight: 383.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2NC=C3C=NC4=CC=CC=C43)SCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2NC=C3C=NC4=CC=CC=C43)SCC(=O)O

InChI

InChI=1S/C19H21N5O2S/c25-17(26)12-27-19-23-22-18(13-6-2-1-3-7-13)24(19)21-11-14-10-20-16-9-5-4-8-15(14)16/h4-5,8-11,13,21H,1-3,6-7,12H2,(H,25,26)