2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide

Systemtic Name: 2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: 2-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-propionamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H31N5O2S/c1-15(21(28)24-16-11-12-16)30-22-26-25-20(27(22)18-8-4-3-5-9-18)14-23-17-7-6-10-19(13-17)29-2/h6-7,10,13,15-16,18,23H,3-5,8-9,11-12,14H2,1-2H3,(H,24,28)