(2S)-2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide

Systemtic Name: (2S)-2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide Openeye Name: (2S)-2-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: (2S)-2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylpropanamide IUPAC Name: (2S)-2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylpropanamide Traditional Name: (2S)-2-[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C16H27N5O2S MolecularWeight: 353.48288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C16H27N5O2S/c1-11(15(23)18-12-7-5-3-4-6-8-12)24-16-20-19-14(21(16)2)10-9-13(17)22/h11-12H,3-10H2,1-2H3,(H2,17,22)(H,18,23)/t11-/m0/s1