2-methylsulfanyl-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

Systemtic Name: 2-methylsulfanyl-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methylsulfanyl-propanamide CAS Name: 2-(methylthio)-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methylsulfanylpropanamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(methylthio)propionamide Formula: C18H23N3OS MolecularWeight: 329.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC2=C1C=NN2CC3=CC=CC=C3)SC

Isomeric SMILES

CC(C(=O)NC1CCCC2=C1C=NN2CC3=CC=CC=C3)SC

InChI

InChI=1S/C18H23N3OS/c1-13(23-2)18(22)20-16-9-6-10-17-15(16)11-19-21(17)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,16H,6,9-10,12H2,1-2H3,(H,20,22)