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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthalenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthyl)propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C21H25N5OS/c1-14(20(27)23-18-13-7-11-15-8-5-6-12-17(15)18)28-21-25-24-19(26(21)22)16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10,22H2,1H3,(H,23,27)