2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[2-(methylthio)phenyl]propionamide Formula: C18H25N5OS2 MolecularWeight: 391.554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H25N5OS2/c1-12(17(24)20-14-10-6-7-11-15(14)25-2)26-18-22-21-16(23(18)19)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9,19H2,1-2H3,(H,20,24)