(2R)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide

Systemtic Name: (2R)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide Openeye Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptyl-propanamide CAS Name: (2R)-2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-N-cycloheptylpropanamide IUPAC Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide Traditional Name: (2R)-2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C19H27N5OS2 MolecularWeight: 405.58058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2N)SCC3=CC=CC=C3

InChI

InChI=1S/C19H27N5OS2/c1-14(17(25)21-16-11-7-2-3-8-12-16)27-19-23-22-18(24(19)20)26-13-15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13,20H2,1H3,(H,21,25)/t14-/m1/s1