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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=C(N3N)C4CCCCC4

InChI

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