N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyladamantane-1-carbohydrazide

Systemtic Name: N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyladamantane-1-carbohydrazide Openeye Name: N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]adamantane-1-carbohydrazide CAS Name: N'-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]adamantane-1-carbohydrazide Traditional Name: N'-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]adamantane-1-carbohydrazide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)CSC5=NC=NN5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)CSC5=NC=NN5

InChI

InChI=1S/C21H25N5O2S/c27-18(17-3-1-13(2-4-17)11-29-20-22-12-23-26-20)24-25-19(28)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16H,5-11H2,(H,24,27)(H,25,28)(H,22,23,26)