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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)propionamide Formula: C13H22N6O2S MolecularWeight: 326.41778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NN=C(N1N)C2CCCCC2

Isomeric SMILES

CC(C(=O)NC(=O)NC)SC1=NN=C(N1N)C2CCCCC2

InChI

InChI=1S/C13H22N6O2S/c1-8(11(20)16-12(21)15-2)22-13-18-17-10(19(13)14)9-6-4-3-5-7-9/h8-9H,3-7,14H2,1-2H3,(H2,15,16,20,21)